[3-(5-chloranyl-1,3-thiazol-2-yl)-1-hex-5-enyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] octadecanoate

Systemtic Name: [3-(5-chloranyl-1,3-thiazol-2-yl)-1-hex-5-enyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] octadecanoate Openeye Name: [3-(5-chlorothiazol-2-yl)-1-hex-5-enyl-3-oxido-imidazolidin-3-ium-4-yl] octadecanoate CAS Name: octadecanoic acid [3-(5-chloro-2-thiazolyl)-1-hex-5-enyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-chloro-1,3-thiazol-2-yl)-1-hex-5-enyl-3-oxidoimidazolidin-3-ium-4-yl] octadecanoate Traditional Name: stearic acid [3-(5-chlorothiazol-2-yl)-1-hex-5-enyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C30H52ClN3O3S MolecularWeight: 570.27018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CN(C[N+]1(C2=NC=C(S2)Cl)[O-])CCCCC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CN(C[N+]1(C2=NC=C(S2)Cl)[O-])CCCCC=C

InChI

InChI=1S/C30H52ClN3O3S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-29(35)37-28-25-33(23-21-8-6-4-2)26-34(28,36)30-32-24-27(31)38-30/h4,24,28H,2-3,5-23,25-26H2,1H3