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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(furan-2-yl)propanoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)propanoic 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] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H16BrN3O4S MolecularWeight: 402.26354

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)CCC3=CC=CO3

Isomeric SMILES

CN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)CCC3=CC=CO3

InChI

InChI=1S/C14H16BrN3O4S/c1-17-8-12(18(20,9-17)14-16-7-11(15)23-14)22-13(19)5-4-10-3-2-6-21-10/h2-3,6-7,12H,4-5,8-9H2,1H3