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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6/c1-22(10-9-14-5-8-18(28-3)19(11-14)29-4)13-20(24)21-16-7-6-15(27-2)12-17(16)23(25)26/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,24)/p+1