dimethyl-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)-propan-2-yl-azanium bromide

Systemtic Name: dimethyl-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)-propan-2-yl-azanium bromide Openeye Name: (4-hydroxy-4,4-diphenyl-but-2-ynyl)-isopropyl-dimethyl-ammonium bromide CAS Name: (4-hydroxy-4,4-diphenylbut-2-ynyl)-dimethyl-propan-2-ylammonium bromide IUPAC Name: (4-hydroxy-4,4-diphenylbut-2-ynyl)-dimethyl-propan-2-ylazanium bromide Traditional Name: (4-hydroxy-4,4-diphenyl-but-2-ynyl)-isopropyl-dimethyl-ammonium bromide Formula: C21H26BrNO MolecularWeight: 388.34124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO.BrH/c1-18(2)22(3,4)17-11-16-21(23,19-12-7-5-8-13-19)20-14-9-6-10-15-20;/h5-10,12-15,18,23H,17H2,1-4H3;1H/q+1;/p-1