[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-(4-acetylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(4-acetylanilino)-2-keto-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C(=O)C)OC

InChI

InChI=1S/C21H26N2O4/c1-5-27-19-11-6-16(12-20(19)26-4)13-23(3)14-21(25)22-18-9-7-17(8-10-18)15(2)24/h6-12H,5,13-14H2,1-4H3,(H,22,25)/p+1