(3,4-dimethoxyphenyl)methyl-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: [3-(4-acetylanilino)-3-oxo-propyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-(4-acetylanilino)-3-oxopropyl]-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [3-(4-acetylanilino)-3-oxopropyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [3-(4-acetylanilino)-3-keto-propyl]-methyl-veratryl-ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-15(24)17-6-8-18(9-7-17)22-21(25)11-12-23(2)14-16-5-10-19(26-3)20(13-16)27-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)/p+1