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

Systemtic Name: (3S)-1-[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C21H25N3O3/c1-27-18-11-5-10-17(13-18)23-21(26)19(15-7-3-2-4-8-15)24-12-6-9-16(14-24)20(22)25/h2-5,7-8,10-11,13,16,19H,6,9,12,14H2,1H3,(H2,22,25)(H,23,26)/p+1/t16-,19-/m0/s1