[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4,5-dimethylpyridine-3-carboxylate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4,5-dimethylpyridine-3-carboxylate Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4,5-dimethylpyridine-3-carboxylate CAS Name: 4,5-dimethyl-3-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] 4,5-dimethylpyridine-3-carboxylate Traditional Name: 4,5-dimethylnicotinic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN=C1)C(=O)OC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C)C

Isomeric SMILES

CC1=C(C(=CN=C1)C(=O)OC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C)C

InChI

InChI=1S/C19H20N4O3S/c1-12-8-20-9-14(13(12)2)18(24)26-17-10-22(3)11-23(17,25)19-21-15-6-4-5-7-16(15)27-19/h4-9,17H,10-11H2,1-3H3