ethyl (3S)-1-(benzamidomethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(benzamidomethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(benzamidomethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(benzamidomethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(benzamidomethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(benzamidomethyl)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)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-2-21-16(20)14-9-6-10-18(11-14)12-17-15(19)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,19)/p+1/t14-/m0/s1