(3,4-dimethoxyphenyl)methyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-methyl-veratryl-ammonium Formula: C20H26N3O6+ MolecularWeight: 404.43694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6/c1-13-8-16(23(25)26)18(28-4)10-15(13)21-20(24)12-22(2)11-14-6-7-17(27-3)19(9-14)29-5/h6-10H,11-12H2,1-5H3,(H,21,24)/p+1