2-piperidin-1-ium-1-ylethyl pyridine-4-carboxylate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl pyridine-4-carboxylate Openeye Name: 2-piperidin-1-ium-1-ylethyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=CC=NC=C2

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H18N2O2/c16-13(12-4-6-14-7-5-12)17-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2/p+1