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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C20H25N3O5/c1-13-6-8-16(23(25)26)20(14(13)2)21-19(24)12-22(3)11-15-7-9-17(27-4)18(10-15)28-5/h6-10H,11-12H2,1-5H3,(H,21,24)/p+1