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124473-31-0 | Pyridinium, 2-[[(2-hydroxyethyl)dithio]methyl]-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno[5,6-d]imidazol-2-yl)-, chloride (1:1)
CAS No: 124473-31-0 Catalog No: AG000M24 MDL No:
Product Description
Catalog Number:
AG000M24
Chemical Name:
Pyridinium, 2-[[(2-hydroxyethyl)dithio]methyl]-4-methoxy-3-methyl-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno[5,6-d]imidazol-2-yl)-, chloride (1:1)
CAS Number:
124473-31-0
Molecular Formula:
C24H30ClN3O3S2
Molecular Weight:
508.0963
IUPAC Name:
2-[2-[(2-hydroxyethyldisulfanyl)methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one;chloride
InChI:
InChI=1S/C24H30N3O3S2.ClH/c1-14-19(13-32-31-10-9-28)27(8-7-20(14)30-6)22-25-17-11-15-16(12-18(17)26-22)24(4,5)21(29)23(15,2)3;/h7-8,11-12,28H,9-10,13H2,1-6H3,(H,25,26);1H/q+1;/p-1
InChI Key:
RZUKEWKLVDAGJK-UHFFFAOYSA-M
SMILES:
OCCSSCc1c(C)c(OC)cc[n+]1c1nc2c([nH]1)cc1c(c2)C(C)(C)C(=O)C1(C)C.[Cl-]
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.142g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
508.092g/mol
Monoisotopic Mass:
507.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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