[4-(methylamino)-4-oxidanylidene-3,3-diphenyl-butyl]-pentan-3-yl-azanium bromide

Systemtic Name: [4-(methylamino)-4-oxidanylidene-3,3-diphenyl-butyl]-pentan-3-yl-azanium bromide Openeye Name: 1-ethylpropyl-[4-(methylamino)-4-oxo-3,3-diphenyl-butyl]ammonium bromide CAS Name: [4-(methylamino)-4-oxo-3,3-diphenylbutyl]-pentan-3-ylammonium bromide IUPAC Name: [4-(methylamino)-4-oxo-3,3-diphenylbutyl]-pentan-3-ylazanium bromide Traditional Name: 1-ethylpropyl-[4-keto-4-(methylamino)-3,3-diphenyl-butyl]ammonium bromide Formula: C22H31BrN2O MolecularWeight: 419.39834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC.[Br-]

Isomeric SMILES

CCC(CC)[NH2+]CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC.[Br-]

InChI

InChI=1S/C22H30N2O.BrH/c1-4-20(5-2)24-17-16-22(21(25)23-3,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20,24H,4-5,16-17H2,1-3H3,(H,23,25);1H