[2-[2-(dimethylazaniumyl)ethenyl]-1-(4-methylphenyl)-3-nitro-6-oxidanyl-indol-7-yl]methyl-dimethyl-azanium

Systemtic Name: [2-[2-(dimethylazaniumyl)ethenyl]-1-(4-methylphenyl)-3-nitro-6-oxidanyl-indol-7-yl]methyl-dimethyl-azanium Openeye Name: 2-[7-[(dimethylammonio)methyl]-6-hydroxy-3-nitro-1-(p-tolyl)indol-2-yl]vinyl-dimethyl-ammonium CAS Name: [2-[2-(dimethylammonio)ethenyl]-6-hydroxy-1-(4-methylphenyl)-3-nitro-7-indolyl]methyl-dimethylammonium IUPAC Name: [2-[2-(dimethylazaniumyl)ethenyl]-6-hydroxy-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl-dimethylazanium Traditional Name: 2-[7-[(dimethylammonio)methyl]-6-hydroxy-3-nitro-1-(p-tolyl)indol-2-yl]vinyl-dimethyl-ammonium Formula: C22H28N4O3+2 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=C2C(=C(C=C3)O)C[NH+](C)C)[N+](=O)[O-])C=C[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=C2C(=C(C=C3)O)C[NH+](C)C)[N+](=O)[O-])C=C[NH+](C)C

InChI

InChI=1S/C22H26N4O3/c1-15-6-8-16(9-7-15)25-19(12-13-23(2)3)22(26(28)29)17-10-11-20(27)18(21(17)25)14-24(4)5/h6-13,27H,14H2,1-5H3/p+2