6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl-trimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl-trimethyl-ammonium tosylate Formula: C37H69NO6S MolecularWeight: 656.01186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H62NO3.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-30-33-28-29(34-30)27-32-26-23-20-19-22-25-31(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h29-30H,5-28H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1