4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl-trimethyl-azanium bromide

Systemtic Name: 4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl-trimethyl-azanium bromide Openeye Name: 4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl-trimethyl-ammonium bromide CAS Name: 4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl-trimethylammonium bromide IUPAC Name: 4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl-trimethylazanium bromide Traditional Name: 4-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]butyl-trimethyl-ammonium bromide Formula: C28H58BrNO3 MolecularWeight: 536.66902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCC[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCC[N+](C)(C)C.[Br-]

InChI

InChI=1S/C28H58NO3.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-31-26-27(32-28)25-30-24-21-20-23-29(2,3)4;/h27-28H,5-26H2,1-4H3;1H/q+1;/p-1