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

Systemtic Name: (3S)-1-[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3CC3)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)NC3CC3)C(=O)N

InChI

InChI=1S/C17H23N3O2/c18-16(21)13-7-4-10-20(11-13)15(12-5-2-1-3-6-12)17(22)19-14-8-9-14/h1-3,5-6,13-15H,4,7-11H2,(H2,18,21)(H,19,22)/p+1/t13-,15+/m0/s1