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

Systemtic Name: 5-chloranyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxylate Openeye Name: 5-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxylate CAS Name: 5-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxylate Traditional Name: 5-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)nicotinate Formula: C12H16ClN3O2 MolecularWeight: 269.72734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O2/c1-15-3-2-4-16(6-5-15)11-10(13)7-9(8-14-11)12(17)18/h7-8H,2-6H2,1H3,(H,17,18)