2-[1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: 2-[1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(4-cyanophenyl)methyl]-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[(4-cyanophenyl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-(4-cyanobenzyl)piperidin-1-ium-4-yl]acetate Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC(=O)[O-])CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1C[NH+](CCC1CC(=O)[O-])CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H18N2O2/c16-10-13-1-3-14(4-2-13)11-17-7-5-12(6-8-17)9-15(18)19/h1-4,12H,5-9,11H2,(H,18,19)