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

Systemtic Name: 4-methylbenzenesulfonate; (4-tetradecyloxolan-2-yl)methyl N-[4-(1,3-thiazol-3-ium-3-yl)butyl]carbamate Openeye Name: 4-methylbenzenesulfonate; (4-tetradecyltetrahydrofuran-2-yl)methyl N-(4-thiazol-3-ium-3-ylbutyl)carbamate CAS Name: 4-methylbenzenesulfonate; N-[4-(3-thiazol-3-iumyl)butyl]carbamic acid (4-tetradecyl-2-oxolanyl)methyl ester IUPAC Name: 4-methylbenzenesulfonate; (4-tetradecyloxolan-2-yl)methyl N-[4-(1,3-thiazol-3-ium-3-yl)butyl]carbamate Traditional Name: N-(4-thiazol-3-ium-3-ylbutyl)carbamic acid (4-myristyltetrahydrofuran-2-yl)methyl ester tosylate Formula: C34H56N2O6S2 MolecularWeight: 652.94824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1CC(OC1)COC(=O)NCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1CC(OC1)COC(=O)NCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C27H48N2O3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25-21-26(31-22-25)23-32-27(30)28-17-14-15-18-29-19-20-33-24-29;1-6-2-4-7(5-3-6)11(8,9)10/h19-20,24-26H,2-18,21-23H2,1H3;2-5H,1H3,(H,8,9,10)