[3-(5-bromanyl-1,3-thiazol-2-yl)-1-hex-4-ynyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3,4-bis(chloranyl)furan-2-carboxylate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-hex-4-ynyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3,4-bis(chloranyl)furan-2-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-hex-4-ynyl-3-oxido-imidazolidin-3-ium-4-yl] 3,4-dichlorofuran-2-carboxylate CAS Name: 3,4-dichloro-2-furancarboxylic acid [3-(5-bromo-2-thiazolyl)-1-hex-4-ynyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-hex-4-ynyl-3-oxidoimidazolidin-3-ium-4-yl] 3,4-dichlorofuran-2-carboxylate Traditional Name: 3,4-dichlorofuran-2-carboxylic acid [3-(5-bromothiazol-2-yl)-1-hex-4-ynyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H16BrCl2N3O4S MolecularWeight: 509.20164

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=C(C(=CO3)Cl)Cl

Isomeric SMILES

CC#CCCCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=C(C(=CO3)Cl)Cl

InChI

InChI=1S/C17H16BrCl2N3O4S/c1-2-3-4-5-6-22-8-13(23(25,10-22)17-21-7-12(18)28-17)27-16(24)15-14(20)11(19)9-26-15/h7,9,13H,4-6,8,10H2,1H3