3-[1-(4-hexadecyloxolan-2-yl)-7-methoxy-heptyl]-1,3-thiazol-3-ium

Systemtic Name: 3-[1-(4-hexadecyloxolan-2-yl)-7-methoxy-heptyl]-1,3-thiazol-3-ium Openeye Name: 3-[1-(4-hexadecyltetrahydrofuran-2-yl)-7-methoxy-heptyl]thiazol-3-ium CAS Name: 3-[1-(4-hexadecyl-2-oxolanyl)-7-methoxyheptyl]thiazol-3-ium IUPAC Name: 3-[1-(4-hexadecyloxolan-2-yl)-7-methoxyheptyl]-1,3-thiazol-3-ium Traditional Name: 3-[1-(4-cetyltetrahydrofuran-2-yl)-7-methoxy-heptyl]thiazol-3-ium Formula: C31H58NO2S+ MolecularWeight: 508.86272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CC(OC1)C(CCCCCCOC)[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CC(OC1)C(CCCCCCOC)[N+]2=CSC=C2

InChI

InChI=1S/C31H58NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-26-31(34-27-29)30(32-23-25-35-28-32)22-19-16-17-20-24-33-2/h23,25,28-31H,3-22,24,26-27H2,1-2H3/q+1