(4-azanyl-4-oxidanylidene-3,3-diphenyl-butyl)-tri(propan-2-yl)azanium bromide

Systemtic Name: (4-azanyl-4-oxidanylidene-3,3-diphenyl-butyl)-tri(propan-2-yl)azanium bromide Openeye Name: (4-amino-4-oxo-3,3-diphenyl-butyl)-triisopropyl-ammonium bromide CAS Name: (4-amino-4-oxo-3,3-diphenylbutyl)-tri(propan-2-yl)ammonium bromide IUPAC Name: (4-amino-4-oxo-3,3-diphenylbutyl)-tri(propan-2-yl)azanium bromide Traditional Name: (4-amino-4-keto-3,3-diphenyl-butyl)-triisopropyl-ammonium bromide Formula: C25H37BrN2O MolecularWeight: 461.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O.BrH/c1-19(2)27(20(3)4,21(5)6)18-17-25(24(26)28,22-13-9-7-10-14-22)23-15-11-8-12-16-23;/h7-16,19-21H,17-18H2,1-6H3,(H-,26,28);1H