5-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate Openeye Name: 5-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate CAS Name: 5-chloro-6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate Traditional Name: 5-chloro-6-(4-methylpiperazin-4-ium-1-yl)nicotinate Formula: C11H14ClN3O2 MolecularWeight: 255.70076

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C11H14ClN3O2/c1-14-2-4-15(5-3-14)10-9(12)6-8(7-13-10)11(16)17/h6-7H,2-5H2,1H3,(H,16,17)