ethyl (3S)-1-[(2-cyanophenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-cyanophenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2-cyanophenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2-cyanophenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2-cyanophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-cyanobenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=CC=C2C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC=CC=C2C#N

InChI

InChI=1S/C16H20N2O2/c1-2-20-16(19)15-8-5-9-18(12-15)11-14-7-4-3-6-13(14)10-17/h3-4,6-7,15H,2,5,8-9,11-12H2,1H3/p+1/t15-/m0/s1