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

Systemtic Name: [3-(6-chloranyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] pyridine-2-carboxylate Openeye Name: [1-allyl-3-(6-chloro-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [3-(6-chloro-1,3-benzothiazol-2-yl)-3-oxido-1-prop-2-enyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(6-chloro-1,3-benzothiazol-2-yl)-3-oxido-1-prop-2-enylimidazolidin-3-ium-4-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [1-allyl-3-(6-chloro-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CC([N+](C1)(C2=NC3=C(S2)C=C(C=C3)Cl)[O-])OC(=O)C4=CC=CC=N4

Isomeric SMILES

C=CCN1CC([N+](C1)(C2=NC3=C(S2)C=C(C=C3)Cl)[O-])OC(=O)C4=CC=CC=N4

InChI

InChI=1S/C19H17ClN4O3S/c1-2-9-23-11-17(27-18(25)15-5-3-4-8-21-15)24(26,12-23)19-22-14-7-6-13(20)10-16(14)28-19/h2-8,10,17H,1,9,11-12H2