ethyl 1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-cyanophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-cyanobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C#N

InChI

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