dimethyl-(2-oxidanyl-4,4-diphenyl-butyl)-prop-2-enyl-azanium bromide

Systemtic Name: dimethyl-(2-oxidanyl-4,4-diphenyl-butyl)-prop-2-enyl-azanium bromide Openeye Name: allyl-(2-hydroxy-4,4-diphenyl-butyl)-dimethyl-ammonium bromide CAS Name: (2-hydroxy-4,4-diphenylbutyl)-dimethyl-prop-2-enylammonium bromide IUPAC Name: (2-hydroxy-4,4-diphenylbutyl)-dimethyl-prop-2-enylazanium bromide Traditional Name: allyl-(2-hydroxy-4,4-diphenyl-butyl)-dimethyl-ammonium bromide Formula: C21H28BrNO MolecularWeight: 390.35712

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC=C)CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

C[N+](C)(CC=C)CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C21H28NO.BrH/c1-4-15-22(2,3)17-20(23)16-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h4-14,20-21,23H,1,15-17H2,2-3H3;1H/q+1;/p-1