1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2,5-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=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

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

InChI

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