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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: homoveratryl-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C21H28N3O6+ MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6/c1-14-10-17(24(26)27)19(29-4)12-16(14)22-21(25)13-23(2)9-8-15-6-7-18(28-3)20(11-15)30-5/h6-7,10-12H,8-9,13H2,1-5H3,(H,22,25)/p+1