[3-(5-bromanyl-1,3-thiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxidanidyl-imidazolidin-3-ium-4-yl] 5-propylthiophene-3-carboxylate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxidanidyl-imidazolidin-3-ium-4-yl] 5-propylthiophene-3-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxido-imidazolidin-3-ium-4-yl] 5-propylthiophene-3-carboxylate CAS Name: 5-propyl-3-thiophenecarboxylic acid [3-(5-bromo-2-thiazolyl)-1-[(E)-hex-4-enyl]-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxidoimidazolidin-3-ium-4-yl] 5-propylthiophene-3-carboxylate Traditional Name: 5-propylthiophene-3-carboxylic acid [3-(5-bromothiazol-2-yl)-1-[(E)-hex-4-enyl]-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H26BrN3O3S2 MolecularWeight: 500.47274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CS1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])CCCC=CC

Isomeric SMILES

CCCC1=CC(=CS1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])CCC/C=C/C

InChI

InChI=1S/C20H26BrN3O3S2/c1-3-5-6-7-9-23-12-18(24(26,14-23)20-22-11-17(21)29-20)27-19(25)15-10-16(8-4-2)28-13-15/h3,5,10-11,13,18H,4,6-9,12,14H2,1-2H3/b5-3+