3-chloranyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-2-carboxylate

Systemtic Name: 3-chloranyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-2-carboxylate Openeye Name: 3-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-2-carboxylate CAS Name: 3-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-pyridinecarboxylate IUPAC Name: 3-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-2-carboxylate Traditional Name: 3-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)picolinate Formula: C12H16ClN3O2 MolecularWeight: 269.72734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC(=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC(=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C12H16ClN3O2/c1-15-5-2-6-16(8-7-15)10-4-3-9(13)11(14-10)12(17)18/h3-4H,2,5-8H2,1H3,(H,17,18)