[4-(dimethylamino)-4-oxidanylidene-3,3-diphenyl-butyl]-methyl-di(propan-2-yl)azanium bromide

Systemtic Name: [4-(dimethylamino)-4-oxidanylidene-3,3-diphenyl-butyl]-methyl-di(propan-2-yl)azanium bromide Openeye Name: [4-(dimethylamino)-4-oxo-3,3-diphenyl-butyl]-diisopropyl-methyl-ammonium bromide CAS Name: [4-(dimethylamino)-4-oxo-3,3-diphenylbutyl]-methyl-di(propan-2-yl)ammonium bromide IUPAC Name: [4-(dimethylamino)-4-oxo-3,3-diphenylbutyl]-methyl-di(propan-2-yl)azanium bromide Traditional Name: [4-(dimethylamino)-4-keto-3,3-diphenyl-butyl]-diisopropyl-methyl-ammonium bromide Formula: C25H37BrN2O MolecularWeight: 461.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N2O.BrH/c1-20(2)27(7,21(3)4)19-18-25(24(28)26(5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23;/h8-17,20-21H,18-19H2,1-7H3;1H/q+1;/p-1