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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-but-3-enylbenzoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-but-3-enylbenzoate CAS Name: 4-but-3-enylbenzoic 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-but-3-enylbenzoate Traditional Name: 4-but-3-enylbenzoic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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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)CCC=C

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3S/c1-3-4-5-13-6-8-14(9-7-13)17(23)25-16-11-21(2)12-22(16,24)18-20-10-15(19)26-18/h3,6-10,16H,1,4-5,11-12H2,2H3