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

Systemtic Name: [1-hex-5-enyl-3-oxidanidyl-3-(5-pent-4-enyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] octadecanoate Openeye Name: [1-hex-5-enyl-3-oxido-3-(5-pent-4-enyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] octadecanoate CAS Name: octadecanoic acid [1-hex-5-enyl-3-oxido-3-(5-pent-4-enyl-1,3-benzothiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-hex-5-enyl-3-oxido-3-(5-pent-4-enyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] octadecanoate Traditional Name: stearic acid [1-hex-5-enyl-3-oxido-3-(5-pent-4-enyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C39H63N3O3S MolecularWeight: 654.00082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CN(C[N+]1(C2=NC3=C(S2)C=CC(=C3)CCCC=C)[O-])CCCCC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CN(C[N+]1(C2=NC3=C(S2)C=CC(=C3)CCCC=C)[O-])CCCCC=C

InChI

InChI=1S/C39H63N3O3S/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-24-27-38(43)45-37-32-41(30-25-11-8-5-2)33-42(37,44)39-40-35-31-34(26-23-9-6-3)28-29-36(35)46-39/h5-6,28-29,31,37H,2-4,7-27,30,32-33H2,1H3