1-[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C27H29ClN3O4+ MolecularWeight: 494.98986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O)Cl

InChI

InChI=1S/C27H28ClN3O4/c1-35-24-12-11-20(17-21(24)28)29-27(34)25(18-7-3-2-4-8-18)31-15-13-19(14-16-31)26(33)30-22-9-5-6-10-23(22)32/h2-12,17,19,25,32H,13-16H2,1H3,(H,29,34)(H,30,33)/p+1/t25-/m0/s1