ethyl 1-[3-[(4-ethoxyphenyl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-ethoxyphenyl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(4-ethoxyanilino)-3-oxo-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(4-ethoxyanilino)-3-oxopropyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-ethoxyanilino)-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[3-keto-3-(p-phenetidino)propyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC[NH+]2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CC[NH+]2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H32N2O4/c1-3-30-22-12-10-21(11-13-22)26-23(28)14-17-27-18-15-25(16-19-27,24(29)31-4-2)20-8-6-5-7-9-20/h5-13H,3-4,14-19H2,1-2H3,(H,26,28)/p+1