[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-chloranylbenzoate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-chloranylbenzoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-(5-bromo-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H13BrClN3O3S MolecularWeight: 418.69332

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H13BrClN3O3S/c1-18-7-12(19(21,8-18)14-17-6-11(15)23-14)22-13(20)9-2-4-10(16)5-3-9/h2-6,12H,7-8H2,1H3