[4-(4-hexadecyloxolan-2-yl)-4-(1,3-thiazol-3-ium-3-yl)butyl] methyl carbonate

Systemtic Name: [4-(4-hexadecyloxolan-2-yl)-4-(1,3-thiazol-3-ium-3-yl)butyl] methyl carbonate Openeye Name: [4-(4-hexadecyltetrahydrofuran-2-yl)-4-thiazol-3-ium-3-yl-butyl] methyl carbonate CAS Name: carbonic acid [4-(4-hexadecyl-2-oxolanyl)-4-(3-thiazol-3-iumyl)butyl] methyl ester IUPAC Name: [4-(4-hexadecyloxolan-2-yl)-4-(1,3-thiazol-3-ium-3-yl)butyl] methyl carbonate Traditional Name: carbonic acid [4-(4-cetyltetrahydrofuran-2-yl)-4-thiazol-3-ium-3-yl-butyl] methyl ester Formula: C29H52NO4S+ MolecularWeight: 510.79248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CC(OC1)C(CCCOC(=O)OC)[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CC(OC1)C(CCCOC(=O)OC)[N+]2=CSC=C2

InChI

InChI=1S/C29H52NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26-23-28(34-24-26)27(30-20-22-35-25-30)19-17-21-33-29(31)32-2/h20,22,25-28H,3-19,21,23-24H2,1-2H3/q+1