3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methyl-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methyl-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methyl-thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methylthiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methyl-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-4-methyl-thiazol-3-ium tosylate Formula: C38H65NO6S2 MolecularWeight: 696.0558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2=CSC=C2C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2=CSC=C2C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C31H58NO3S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-34-26-30(35-31)25-33-24-21-18-17-20-23-32-28-36-27-29(32)2;1-6-2-4-7(5-3-6)11(8,9)10/h27-28,30-31H,3-26H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1