(2-oxidanyl-3-pyridin-1-ium-1-yl-propyl) pyridine-3-carboxylate

Systemtic Name: (2-oxidanyl-3-pyridin-1-ium-1-yl-propyl) pyridine-3-carboxylate Openeye Name: (2-hydroxy-3-pyridin-1-ium-1-yl-propyl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-hydroxy-3-(1-pyridin-1-iumyl)propyl] ester IUPAC Name: (2-hydroxy-3-pyridin-1-ium-1-ylpropyl) pyridine-3-carboxylate Traditional Name: nicotinic acid (2-hydroxy-3-pyridin-1-ium-1-yl-propyl) ester Formula: C14H15N2O3+ MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(COC(=O)C2=CN=CC=C2)O

Isomeric SMILES

C1=CC=[N+](C=C1)CC(COC(=O)C2=CN=CC=C2)O

InChI

InChI=1S/C14H15N2O3/c17-13(10-16-7-2-1-3-8-16)11-19-14(18)12-5-4-6-15-9-12/h1-9,13,17H,10-11H2/q+1