(4-hexadecyloxolan-2-yl)methyl N-[4-(1,3-thiazol-3-ium-3-yl)butyl]carbamate; 4-methylbenzenesulfonate

Systemtic Name: (4-hexadecyloxolan-2-yl)methyl N-[4-(1,3-thiazol-3-ium-3-yl)butyl]carbamate; 4-methylbenzenesulfonate Openeye Name: (4-hexadecyltetrahydrofuran-2-yl)methyl N-(4-thiazol-3-ium-3-ylbutyl)carbamate; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; N-[4-(3-thiazol-3-iumyl)butyl]carbamic acid (4-hexadecyl-2-oxolanyl)methyl ester IUPAC Name: (4-hexadecyloxolan-2-yl)methyl N-[4-(1,3-thiazol-3-ium-3-yl)butyl]carbamate; 4-methylbenzenesulfonate Traditional Name: N-(4-thiazol-3-ium-3-ylbutyl)carbamic acid (4-cetyltetrahydrofuran-2-yl)methyl ester tosylate Formula: C36H60N2O6S2 MolecularWeight: 681.0014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CC(OC1)COC(=O)NCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CC(OC1)COC(=O)NCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C29H52N2O3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23-28(33-24-27)25-34-29(32)30-19-16-17-20-31-21-22-35-26-31;1-6-2-4-7(5-3-6)11(8,9)10/h21-22,26-28H,2-20,23-25H2,1H3;2-5H,1H3,(H,8,9,10)