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

Systemtic Name: methyl 1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-cyanophenyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-cyanobenzyl)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C15H19N2O2+ MolecularWeight: 259.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2/c1-19-15(18)14-6-8-17(9-7-14)11-13-4-2-12(10-16)3-5-13/h2-5,14H,6-9,11H2,1H3/p+1