2-(3,4-dimethoxyphenyl)ethyl-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-23(11-9-15-5-7-19(29-3)20(13-15)30-4)12-10-21(25)22-17-14-16(24(26)27)6-8-18(17)28-2/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)/p+1