5-chloranyl-6-piperazin-4-ium-1-yl-pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-piperazin-4-ium-1-yl-pyridine-3-carboxylate Openeye Name: 5-chloro-6-piperazin-4-ium-1-yl-pyridine-3-carboxylate CAS Name: 5-chloro-6-(1-piperazin-4-iumyl)-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-piperazin-4-ium-1-ylpyridine-3-carboxylate Traditional Name: 5-chloro-6-piperazin-4-ium-1-yl-nicotinate Formula: C10H12ClN3O2 MolecularWeight: 241.67418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClN3O2/c11-8-5-7(10(15)16)6-13-9(8)14-3-1-12-2-4-14/h5-6,12H,1-4H2,(H,15,16)