[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2,6-bis(chloranyl)pyridine-4-carboxylate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2,6-bis(chloranyl)pyridine-4-carboxylate Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2,6-dichloropyridine-4-carboxylate CAS Name: 2,6-dichloro-4-pyridinecarboxylic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 2,6-dichloropyridine-4-carboxylate Traditional Name: 2,6-dichloroisonicotinic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H14Cl2N4O3S MolecularWeight: 425.28906

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)C4=CC(=NC(=C4)Cl)Cl

Isomeric SMILES

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])OC(=O)C4=CC(=NC(=C4)Cl)Cl

InChI

InChI=1S/C17H14Cl2N4O3S/c1-22-8-15(26-16(24)10-6-13(18)21-14(19)7-10)23(25,9-22)17-20-11-4-2-3-5-12(11)27-17/h2-7,15H,8-9H2,1H3