3-[7-(2-ethoxy-3-hexadecoxy-propoxy)heptyl]-1,3-thiazol-3-ium; methanesulfonate

Systemtic Name: 3-[7-(2-ethoxy-3-hexadecoxy-propoxy)heptyl]-1,3-thiazol-3-ium; methanesulfonate Openeye Name: 3-[7-(2-ethoxy-3-hexadecoxy-propoxy)heptyl]thiazol-3-ium; methanesulfonate CAS Name: 3-[7-(2-ethoxy-3-hexadecoxypropoxy)heptyl]thiazol-3-ium; methanesulfonate IUPAC Name: 3-[7-(2-ethoxy-3-hexadecoxypropoxy)heptyl]-1,3-thiazol-3-ium; methanesulfonate Traditional Name: 3-[7-(3-cetyloxy-2-ethoxy-propoxy)heptyl]thiazol-3-ium mesylate Formula: C32H63NO6S2 MolecularWeight: 621.97572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCCCCCCC[N+]1=CSC=C1)OCC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCCCCCCC[N+]1=CSC=C1)OCC.CS(=O)(=O)[O-]

InChI

InChI=1S/C31H60NO3S.CH4O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-21-25-33-28-31(35-4-2)29-34-26-22-19-16-17-20-23-32-24-27-36-30-32;1-5(2,3)4/h24,27,30-31H,3-23,25-26,28-29H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1