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

Systemtic Name: (3S)-1-[(1R)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C22H27N3O3/c1-2-28-19-13-7-6-12-18(19)24-22(27)20(16-9-4-3-5-10-16)25-14-8-11-17(15-25)21(23)26/h3-7,9-10,12-13,17,20H,2,8,11,14-15H2,1H3,(H2,23,26)(H,24,27)/p+1/t17-,20+/m0/s1