2-piperazin-4-ium-1-ylpyridine-3-carboxylate

Systemtic Name: 2-piperazin-4-ium-1-ylpyridine-3-carboxylate Openeye Name: 2-piperazin-4-ium-1-ylpyridine-3-carboxylate CAS Name: 2-(1-piperazin-4-iumyl)-3-pyridinecarboxylate IUPAC Name: 2-piperazin-4-ium-1-ylpyridine-3-carboxylate Traditional Name: 2-piperazin-4-ium-1-ylnicotinate Formula: C10H13N3O2 MolecularWeight: 207.22912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C10H13N3O2/c14-10(15)8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2,(H,14,15)