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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-but-3-ynyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-butylthiophene-3-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-but-3-ynyl-3-oxido-imidazolidin-3-ium-4-yl] 4-butylthiophene-3-carboxylate CAS Name: 4-butyl-3-thiophenecarboxylic acid [3-(5-bromo-2-thiazolyl)-1-but-3-ynyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-but-3-ynyl-3-oxidoimidazolidin-3-ium-4-yl] 4-butylthiophene-3-carboxylate Traditional Name: 4-butylthiophene-3-carboxylic acid [3-(5-bromothiazol-2-yl)-1-but-3-ynyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H22BrN3O3S2 MolecularWeight: 484.43028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CSC=C1C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])CCC#C

Isomeric SMILES

CCCCC1=CSC=C1C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])CCC#C

InChI

InChI=1S/C19H22BrN3O3S2/c1-3-5-7-14-11-27-12-15(14)18(24)26-17-10-22(8-6-4-2)13-23(17,25)19-21-9-16(20)28-19/h2,9,11-12,17H,3,5-8,10,13H2,1H3