1-[(1S)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1S)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C28H32N3O4+ MolecularWeight: 474.57138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O

InChI

InChI=1S/C28H31N3O4/c1-2-35-25-15-9-7-13-23(25)30-28(34)26(20-10-4-3-5-11-20)31-18-16-21(17-19-31)27(33)29-22-12-6-8-14-24(22)32/h3-15,21,26,32H,2,16-19H2,1H3,(H,29,33)(H,30,34)/p+1/t26-/m0/s1