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

Systemtic Name: 4-methylbenzenesulfonate; (2-pentadecyl-1,3-dioxolan-4-yl)methyl N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate Openeye Name: 4-methylbenzenesulfonate; (2-pentadecyl-1,3-dioxolan-4-yl)methyl N-(5-thiazol-3-ium-3-ylpentyl)carbamate CAS Name: 4-methylbenzenesulfonate; N-[5-(3-thiazol-3-iumyl)pentyl]carbamic acid (2-pentadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: 4-methylbenzenesulfonate; (2-pentadecyl-1,3-dioxolan-4-yl)methyl N-[5-(1,3-thiazol-3-ium-3-yl)pentyl]carbamate Traditional Name: N-(5-thiazol-3-ium-3-ylpentyl)carbamic acid (2-pentadecyl-1,3-dioxolan-4-yl)methyl ester tosylate Formula: C35H58N2O7S2 MolecularWeight: 682.97422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1OCC(O1)COC(=O)NCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1OCC(O1)COC(=O)NCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C28H50N2O4S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-27-32-23-26(34-27)24-33-28(31)29-19-16-14-17-20-30-21-22-35-25-30;1-6-2-4-7(5-3-6)11(8,9)10/h21-22,25-27H,2-20,23-24H2,1H3;2-5H,1H3,(H,8,9,10)