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

Systemtic Name: N-(2-hydroxyphenyl)-1-[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4/c1-34-22-11-7-10-21(18-22)28-27(33)25(19-8-3-2-4-9-19)30-16-14-20(15-17-30)26(32)29-23-12-5-6-13-24(23)31/h2-13,18,20,25,31H,14-17H2,1H3,(H,28,33)(H,29,32)/p+1/t25-/m0/s1