(2,4-dimethoxyphenyl)methyl-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: (2,4-dimethoxyphenyl)methyl-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: [3-(4-acetylanilino)-3-oxo-propyl]-[(2,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-(4-acetylanilino)-3-oxopropyl]-[(2,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [3-(4-acetylanilino)-3-oxopropyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [3-(4-acetylanilino)-3-keto-propyl]-(2,4-dimethoxybenzyl)-methyl-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=C(C=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

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