[1-(3-oxidanylpropyl)piperazin-1-ium-1-yl] pyridine-4-carboxylate

Systemtic Name: [1-(3-oxidanylpropyl)piperazin-1-ium-1-yl] pyridine-4-carboxylate Openeye Name: [1-(3-hydroxypropyl)piperazin-1-ium-1-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-(3-hydroxypropyl)-1-piperazin-1-iumyl] ester IUPAC Name: [1-(3-hydroxypropyl)piperazin-1-ium-1-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [1-(3-hydroxypropyl)piperazin-1-ium-1-yl] ester Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCCO)OC(=O)C2=CC=NC=C2

Isomeric SMILES

C1C[N+](CCN1)(CCCO)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H20N3O3/c17-11-1-8-16(9-6-15-7-10-16)19-13(18)12-2-4-14-5-3-12/h2-5,15,17H,1,6-11H2/q+1