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124473-22-9 | Pyridinium, 2-[(ethyldithio)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: 124473-22-9 Catalog No: AG000M25 MDL No:
Product Description
Catalog Number:
AG000M25
Chemical Name:
Pyridinium, 2-[(ethyldithio)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:
124473-22-9
Molecular Formula:
C24H30ClN3O2S2
Molecular Weight:
492.0969
IUPAC Name:
2-[2-[(ethyldisulfanyl)methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one;chloride
InChI:
InChI=1S/C24H30N3O2S2.ClH/c1-8-30-31-13-19-14(2)20(29-7)9-10-27(19)22-25-17-11-15-16(12-18(17)26-22)24(5,6)21(28)23(15,3)4;/h9-12H,8,13H2,1-7H3,(H,25,26);1H/q+1;/p-1
InChI Key:
CFBRIIHONDCBRS-UHFFFAOYSA-M
SMILES:
CCSSCc1c(C)c(OC)cc[n+]1c1nc2c([nH]1)cc1c(c2)C(C)(C)C(=O)C1(C)C.[Cl-]
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.147g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
492.093g/mol
Monoisotopic Mass:
491.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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