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

Systemtic Name: ethyl (3S)-1-[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C19H26N2O3/c1-2-24-19(23)15-9-6-12-21(13-15)17(14-7-4-3-5-8-14)18(22)20-16-10-11-16/h3-5,7-8,15-17H,2,6,9-13H2,1H3,(H,20,22)/p+1/t15-,17+/m0/s1