trimethyl-[5-oxidanylidene-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]azanium bromide

Systemtic Name: trimethyl-[5-oxidanylidene-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]azanium bromide Openeye Name: [4-(allylamino)-1-methyl-4-oxo-3,3-diphenyl-butyl]-trimethyl-ammonium bromide CAS Name: trimethyl-[5-oxo-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]ammonium bromide IUPAC Name: trimethyl-[5-oxo-4,4-diphenyl-5-(prop-2-enylamino)pentan-2-yl]azanium bromide Traditional Name: [4-(allylamino)-4-keto-1-methyl-3,3-diphenyl-butyl]-trimethyl-ammonium bromide Formula: C23H31BrN2O MolecularWeight: 431.40904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O.BrH/c1-6-17-24-22(26)23(18-19(2)25(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h6-16,19H,1,17-18H2,2-5H3;1H