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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-2-(3-chloranylpropyl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-phenoxyethanoate Openeye Name: [3-(5-bromothiazol-2-yl)-2-(3-chloropropyl)-3-oxido-imidazolidin-3-ium-4-yl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [3-(5-bromo-2-thiazolyl)-2-(3-chloropropyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-2-(3-chloropropyl)-3-oxidoimidazolidin-3-ium-4-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [3-(5-bromothiazol-2-yl)-2-(3-chloropropyl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H19BrClN3O4S MolecularWeight: 476.77246

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Descriptors Computed from Structure

Canonical SMILES:

C1C([N+](C(N1)CCCCl)(C2=NC=C(S2)Br)[O-])OC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1C([N+](C(N1)CCCCl)(C2=NC=C(S2)Br)[O-])OC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C17H19BrClN3O4S/c18-13-9-21-17(27-13)22(24)14(7-4-8-19)20-10-15(22)26-16(23)11-25-12-5-2-1-3-6-12/h1-3,5-6,9,14-15,20H,4,7-8,10-11H2