3-[8-[[(2S,4S)-2-heptadecyl-1,3-dioxolan-4-yl]methoxy]octyl]-1,3-thiazol-3-ium

Systemtic Name: 3-[8-[[(2S,4S)-2-heptadecyl-1,3-dioxolan-4-yl]methoxy]octyl]-1,3-thiazol-3-ium Openeye Name: 3-[8-[[(2S,4S)-2-heptadecyl-1,3-dioxolan-4-yl]methoxy]octyl]thiazol-3-ium CAS Name: 3-[8-[[(2S,4S)-2-heptadecyl-1,3-dioxolan-4-yl]methoxy]octyl]thiazol-3-ium IUPAC Name: 3-[8-[[(2S,4S)-2-heptadecyl-1,3-dioxolan-4-yl]methoxy]octyl]-1,3-thiazol-3-ium Traditional Name: 3-[8-[[(2S,4S)-2-heptadecyl-1,3-dioxolan-4-yl]methoxy]octyl]thiazol-3-ium Formula: C32H60NO3S+ MolecularWeight: 538.8887

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC[C@H]1OC[C@@H](O1)COCCCCCCCC[N+]2=CSC=C2

InChI

InChI=1S/C32H60NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-32-35-29-31(36-32)28-34-26-22-19-16-15-18-21-24-33-25-27-37-30-33/h25,27,30-32H,2-24,26,28-29H2,1H3/q+1/t31-,32-/m0/s1