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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-cyanobenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S/c1-22-11-17(26-18(24)14-8-6-13(10-20)7-9-14)23(25,12-22)19-21-15-4-2-3-5-16(15)27-19/h2-9,17H,11-12H2,1H3