2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium Traditional Name: homoveratryl-[2-keto-2-(2-methyl-6-nitro-anilino)ethyl]-methyl-ammonium Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H25N3O5/c1-14-6-5-7-16(23(25)26)20(14)21-19(24)13-22(2)11-10-15-8-9-17(27-3)18(12-15)28-4/h5-9,12H,10-11,13H2,1-4H3,(H,21,24)/p+1