2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-pyridinecarboxylic acid IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)isonicotinic acid Formula: C15H17N4O2+ MolecularWeight: 285.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H16N4O2/c20-15(21)12-4-6-17-14(11-12)19-9-7-18(8-10-19)13-3-1-2-5-16-13/h1-6,11H,7-10H2,(H,20,21)/p+1