methyl 1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-cyanophenyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-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=CC(=C2)C#N

Isomeric SMILES

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

InChI

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