[7-(dimethylamino)-2-methyl-7-oxidanylidene-6,6-diphenyl-3-propan-2-yl-heptan-3-yl]azanium bromide

Systemtic Name: [7-(dimethylamino)-2-methyl-7-oxidanylidene-6,6-diphenyl-3-propan-2-yl-heptan-3-yl]azanium bromide Openeye Name: [5-(dimethylamino)-1,1-diisopropyl-5-oxo-4,4-diphenyl-pentyl]ammonium bromide CAS Name: [7-(dimethylamino)-2-methyl-7-oxo-6,6-diphenyl-3-propan-2-ylheptan-3-yl]ammonium bromide IUPAC Name: [7-(dimethylamino)-2-methyl-7-oxo-6,6-diphenyl-3-propan-2-ylheptan-3-yl]azanium bromide Traditional Name: [5-(dimethylamino)-1,1-diisopropyl-5-keto-4,4-diphenyl-pentyl]ammonium bromide Formula: C25H37BrN2O MolecularWeight: 461.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)C)(C(C)C)[NH3+].[Br-]

Isomeric SMILES

CC(C)C(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)C)(C(C)C)[NH3+].[Br-]

InChI

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