[3-(5-chloranyl-1,3-thiazol-2-yl)-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] octanoate

Systemtic Name: [3-(5-chloranyl-1,3-thiazol-2-yl)-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] octanoate Openeye Name: [3-(5-chlorothiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] octanoate CAS Name: octanoic acid [3-(5-chloro-2-thiazolyl)-1-hexyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-chloro-1,3-thiazol-2-yl)-1-hexyl-3-oxidoimidazolidin-3-ium-4-yl] octanoate Traditional Name: caprylic acid [3-(5-chlorothiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H34ClN3O3S MolecularWeight: 432.02026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34ClN3O3S/c1-3-5-7-9-10-12-19(25)27-18-15-23(13-11-8-6-4-2)16-24(18,26)20-22-14-17(21)28-20/h14,18H,3-13,15-16H2,1-2H3