2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: homoveratryl-[(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]-methyl-ammonium Formula: C21H28N3O6+ MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H27N3O6/c1-14(21(25)22-17-13-16(24(26)27)7-9-18(17)28-3)23(2)11-10-15-6-8-19(29-4)20(12-15)30-5/h6-9,12-14H,10-11H2,1-5H3,(H,22,25)/p+1/t14-/m0/s1