[(2S,4R)-2-nonadecyl-1,3-dioxolan-4-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate

Systemtic Name: [(2S,4R)-2-nonadecyl-1,3-dioxolan-4-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Openeye Name: [(2S,4R)-2-nonadecyl-1,3-dioxolan-4-yl]methyl 6-thiazol-3-ium-3-ylhexanoate CAS Name: 6-(3-thiazol-3-iumyl)hexanoic acid [(2S,4R)-2-nonadecyl-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [(2S,4R)-2-nonadecyl-1,3-dioxolan-4-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Traditional Name: 6-thiazol-3-ium-3-ylhexanoic acid [(2S,4R)-2-nonadecyl-1,3-dioxolan-4-yl]methyl ester Formula: C32H58NO4S+ MolecularWeight: 552.87222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC[C@H]1OC[C@@H](O1)COC(=O)CCCCC[N+]2=CSC=C2

InChI

InChI=1S/C32H58NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-36-28-30(37-32)27-35-31(34)22-19-18-21-24-33-25-26-38-29-33/h25-26,29-30,32H,2-24,27-28H2,1H3/q+1/t30-,32-/m0/s1