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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-[(E)-hex-4-enyl]benzoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-[(E)-hex-4-enyl]benzoate CAS Name: 4-[(E)-hex-4-enyl]benzoic 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] 4-[(E)-hex-4-enyl]benzoate Traditional Name: 4-[(E)-hex-4-enyl]benzoic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H24BrN3O3S MolecularWeight: 466.39186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCCCC1=CC=C(C=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

Isomeric SMILES

C/C=C/CCCC1=CC=C(C=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

InChI

InChI=1S/C20H24BrN3O3S/c1-3-4-5-6-7-15-8-10-16(11-9-15)19(25)27-18-13-23(2)14-24(18,26)20-22-12-17(21)28-20/h3-4,8-12,18H,5-7,13-14H2,1-2H3/b4-3+