ethyl (3S)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(2-anilino-2-oxoethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-anilino-2-oxoethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-anilino-2-keto-ethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O3/c1-2-21-16(20)13-7-6-10-18(11-13)12-15(19)17-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,17,19)/p+1/t13-/m0/s1