(4-hexadecyloxolan-2-yl)methyl N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate; 4-methylbenzenesulfonate

Systemtic Name: (4-hexadecyloxolan-2-yl)methyl N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate; 4-methylbenzenesulfonate Openeye Name: (4-hexadecyltetrahydrofuran-2-yl)methyl N-(5-thiazol-3-ium-3-ylpentyl)carbamate; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; N-[5-(3-thiazol-3-iumyl)pentyl]carbamic acid (4-hexadecyl-2-oxolanyl)methyl ester IUPAC Name: (4-hexadecyloxolan-2-yl)methyl N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate; 4-methylbenzenesulfonate Traditional Name: N-(5-thiazol-3-ium-3-ylpentyl)carbamic acid (4-cetyltetrahydrofuran-2-yl)methyl ester tosylate Formula: C37H62N2O6S2 MolecularWeight: 695.02798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54N2O3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-28-24-29(34-25-28)26-35-30(33)31-20-17-15-18-21-32-22-23-36-27-32;1-6-2-4-7(5-3-6)11(8,9)10/h22-23,27-29H,2-21,24-26H2,1H3;2-5H,1H3,(H,8,9,10)