1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27N3O4/c1-28-19-9-8-18(14-20(19)29-2)23-21(26)15-25-12-10-16(11-13-25)22(27)24-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)/p+1