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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-homoveratryl-methyl-ammonium Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-14-6-8-17(24(26)27)21(15(14)2)22-20(25)13-23(3)11-10-16-7-9-18(28-4)19(12-16)29-5/h6-9,12H,10-11,13H2,1-5H3,(H,22,25)/p+1