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

Systemtic Name: [2-[2-(dimethylazaniumyl)ethenyl]-1-(4-methoxyphenyl)-3-nitro-6-oxidanyl-indol-7-yl]methyl-dimethyl-azanium Openeye Name: 2-[7-[(dimethylammonio)methyl]-6-hydroxy-1-(4-methoxyphenyl)-3-nitro-indol-2-yl]vinyl-dimethyl-ammonium CAS Name: [2-[2-(dimethylammonio)ethenyl]-6-hydroxy-1-(4-methoxyphenyl)-3-nitro-7-indolyl]methyl-dimethylammonium IUPAC Name: [2-[2-(dimethylazaniumyl)ethenyl]-6-hydroxy-1-(4-methoxyphenyl)-3-nitroindol-7-yl]methyl-dimethylazanium Traditional Name: 2-[7-[(dimethylammonio)methyl]-6-hydroxy-1-(4-methoxyphenyl)-3-nitro-indol-2-yl]vinyl-dimethyl-ammonium Formula: C22H28N4O4+2 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1N(C(=C2[N+](=O)[O-])C=C[NH+](C)C)C3=CC=C(C=C3)OC)O

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1N(C(=C2[N+](=O)[O-])C=C[NH+](C)C)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C22H26N4O4/c1-23(2)13-12-19-22(26(28)29)17-10-11-20(27)18(14-24(3)4)21(17)25(19)15-6-8-16(30-5)9-7-15/h6-13,27H,14H2,1-5H3/p+2