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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] benzoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H14BrN3O3S MolecularWeight: 384.24826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3O3S/c1-17-8-12(21-13(19)10-5-3-2-4-6-10)18(20,9-17)14-16-7-11(15)22-14/h2-7,12H,8-9H2,1H3