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Home > Indoles and Oxindole > 83949-62-6
83949-62-6 | 2-(((4-Methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate
CAS No: 83949-62-6 Catalog No: AG004UNY MDL No:
Product Description
Catalog Number:
AG004UNY
Chemical Name:
2-(((4-Methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate
CAS Number:
83949-62-6
Molecular Formula:
C20H25N3O5S
Molecular Weight:
419.4946
IUPAC Name:
hydrogen sulfate;1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine
InChI:
InChI=1S/C20H23N3O.H2O4S/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-5(2,3)4/h5-12,14H,13H2,1-4H3;(H2,1,2,3,4)
InChI Key:
ODBBXFCYRGYGPX-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)O.COc1ccc(cc1)CNN=CC1=[N+](C)c2c(C1(C)C)cccc2
EC Number:
281-422-4
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
419.151g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
419.496g/mol
Monoisotopic Mass:
419.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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