[3-(5-bromanyl-1,3-thiazol-2-yl)-1-but-2-ynyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] pent-4-enoate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-but-2-ynyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] pent-4-enoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-but-2-ynyl-3-oxido-imidazolidin-3-ium-4-yl] pent-4-enoate CAS Name: 4-pentenoic acid [3-(5-bromo-2-thiazolyl)-1-but-2-ynyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-but-2-ynyl-3-oxidoimidazolidin-3-ium-4-yl] pent-4-enoate Traditional Name: pent-4-enoic acid [3-(5-bromothiazol-2-yl)-1-but-2-ynyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H18BrN3O3S MolecularWeight: 400.29072

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)CCC=C

Isomeric SMILES

CC#CCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)CCC=C

InChI

InChI=1S/C15H18BrN3O3S/c1-3-5-7-14(20)22-13-10-18(8-6-4-2)11-19(13,21)15-17-9-12(16)23-15/h3,9,13H,1,5,7-8,10-11H2,2H3