[3-(5-bromanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-[(E)-pent-3-enyl]imidazolidin-3-ium-4-yl] dodecanoate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-[(E)-pent-3-enyl]imidazolidin-3-ium-4-yl] dodecanoate Openeye Name: [3-(5-bromothiazol-2-yl)-3-oxido-1-[(E)-pent-3-enyl]imidazolidin-3-ium-4-yl] dodecanoate CAS Name: dodecanoic acid [3-(5-bromo-2-thiazolyl)-3-oxido-1-[(E)-pent-3-enyl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-3-oxido-1-[(E)-pent-3-enyl]imidazolidin-3-ium-4-yl] dodecanoate Traditional Name: lauric acid [3-(5-bromothiazol-2-yl)-3-oxido-1-[(E)-pent-3-enyl]imidazolidin-3-ium-4-yl] ester Formula: C23H38BrN3O3S MolecularWeight: 516.53512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1CN(C[N+]1(C2=NC=C(S2)Br)[O-])CCC=CC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1CN(C[N+]1(C2=NC=C(S2)Br)[O-])CC/C=C/C

InChI

InChI=1S/C23H38BrN3O3S/c1-3-5-7-8-9-10-11-12-13-15-22(28)30-21-18-26(16-14-6-4-2)19-27(21,29)23-25-17-20(24)31-23/h4,6,17,21H,3,5,7-16,18-19H2,1-2H3/b6-4+