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

Systemtic Name: [6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]-6-oxidanylidene-hexyl]-trimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: [6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]-6-oxo-hexyl]-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]-6-oxohexyl]-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: [6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]-6-oxohexyl]-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: [6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]-6-keto-hexyl]-trimethyl-ammonium tosylate Formula: C37H67NO7S MolecularWeight: 669.99538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H60NO4.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-30-34-27-28(35-30)26-33-29(32)23-20-19-22-25-31(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h28,30H,5-27H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1