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

Systemtic Name: 1-[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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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=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-33-24-14-8-13-23(19-24)29-27(32)25(20-9-4-2-5-10-20)30-17-15-21(16-18-30)26(31)28-22-11-6-3-7-12-22/h2-14,19,21,25H,15-18H2,1H3,(H,28,31)(H,29,32)/p+1/t25-/m0/s1