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

Systemtic Name: dimethyl-[[2-methyl-1-(4-methylphenyl)-3-nitro-6-oxidanyl-indol-7-yl]methyl]azanium Openeye Name: [6-hydroxy-2-methyl-3-nitro-1-(p-tolyl)indol-7-yl]methyl-dimethyl-ammonium CAS Name: [6-hydroxy-2-methyl-1-(4-methylphenyl)-3-nitro-7-indolyl]methyl-dimethylammonium IUPAC Name: [6-hydroxy-2-methyl-1-(4-methylphenyl)-3-nitroindol-7-yl]methyl-dimethylazanium Traditional Name: [6-hydroxy-2-methyl-3-nitro-1-(p-tolyl)indol-7-yl]methyl-dimethyl-ammonium Formula: C19H22N3O3+ MolecularWeight: 340.39628

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-12-5-7-14(8-6-12)21-13(2)18(22(24)25)15-9-10-17(23)16(19(15)21)11-20(3)4/h5-10,23H,11H2,1-4H3/p+1