4-(3-hexadecoxy-2-methoxy-propoxy)butyl-dimethyl-(3-oxidanylpropyl)azanium bromide

Systemtic Name: 4-(3-hexadecoxy-2-methoxy-propoxy)butyl-dimethyl-(3-oxidanylpropyl)azanium bromide Openeye Name: 4-(3-hexadecoxy-2-methoxy-propoxy)butyl-(3-hydroxypropyl)-dimethyl-ammonium bromide CAS Name: 4-(3-hexadecoxy-2-methoxypropoxy)butyl-(3-hydroxypropyl)-dimethylammonium bromide IUPAC Name: 4-(3-hexadecoxy-2-methoxypropoxy)butyl-(3-hydroxypropyl)-dimethylazanium bromide Traditional Name: 4-(3-cetyloxy-2-methoxy-propoxy)butyl-(3-hydroxypropyl)-dimethyl-ammonium bromide Formula: C29H62BrNO4 MolecularWeight: 568.71088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)CCCO)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)CCCO)OC.[Br-]

InChI

InChI=1S/C29H62NO4.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-33-27-29(32-4)28-34-26-20-18-22-30(2,3)23-21-24-31;/h29,31H,5-28H2,1-4H3;1H/q+1;/p-1