3-chloranyl-6-piperazin-4-ium-1-yl-pyridine-2-carboxylate

Systemtic Name: 3-chloranyl-6-piperazin-4-ium-1-yl-pyridine-2-carboxylate Openeye Name: 3-chloro-6-piperazin-4-ium-1-yl-pyridine-2-carboxylate CAS Name: 3-chloro-6-(1-piperazin-4-iumyl)-2-pyridinecarboxylate IUPAC Name: 3-chloro-6-piperazin-4-ium-1-ylpyridine-2-carboxylate Traditional Name: 3-chloro-6-piperazin-4-ium-1-yl-picolinate Formula: C10H12ClN3O2 MolecularWeight: 241.67418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClN3O2/c11-7-1-2-8(13-9(7)10(15)16)14-5-3-12-4-6-14/h1-2,12H,3-6H2,(H,15,16)