N-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide chloride

Systemtic Name: N-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide chloride Openeye Name: N-[(1S)-1-benzyl-2-(4-ethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide chloride CAS Name: N-[(2S)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]-4-piperidin-1-iumcarboxamide chloride IUPAC Name: N-[(2S)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]piperidin-1-ium-4-carboxamide chloride Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(p-phenetidino)ethyl]piperidin-1-ium-4-carboxamide chloride Formula: C23H30ClN3O3 MolecularWeight: 431.9556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC[NH2+]CC3.[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CC[NH2+]CC3.[Cl-]

InChI

InChI=1S/C23H29N3O3.ClH/c1-2-29-20-10-8-19(9-11-20)25-23(28)21(16-17-6-4-3-5-7-17)26-22(27)18-12-14-24-15-13-18;/h3-11,18,21,24H,2,12-16H2,1H3,(H,25,28)(H,26,27);1H/t21-;/m0./s1