2-[4-(3-bromanyl-4-oxidanylidene-2,4-diphenyl-butan-2-yl)-2-methyl-phenoxy]ethyl-diethyl-propyl-azanium

Systemtic Name: 2-[4-(3-bromanyl-4-oxidanylidene-2,4-diphenyl-butan-2-yl)-2-methyl-phenoxy]ethyl-diethyl-propyl-azanium Openeye Name: 2-[4-(2-bromo-1-methyl-3-oxo-1,3-diphenyl-propyl)-2-methyl-phenoxy]ethyl-diethyl-propyl-ammonium CAS Name: 2-[4-(3-bromo-4-oxo-2,4-diphenylbutan-2-yl)-2-methylphenoxy]ethyl-diethyl-propylammonium IUPAC Name: 2-[4-(3-bromo-4-oxo-2,4-diphenylbutan-2-yl)-2-methylphenoxy]ethyl-diethyl-propylazanium Traditional Name: 2-[4-(2-bromo-3-keto-1-methyl-1,3-diphenyl-propyl)-2-methyl-phenoxy]ethyl-diethyl-propyl-ammonium Formula: C32H41BrNO2+ MolecularWeight: 551.57744

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC)(CC)CCOC1=C(C=C(C=C1)C(C)(C2=CC=CC=C2)C(C(=O)C3=CC=CC=C3)Br)C

Isomeric SMILES

CCC[N+](CC)(CC)CCOC1=C(C=C(C=C1)C(C)(C2=CC=CC=C2)C(C(=O)C3=CC=CC=C3)Br)C

InChI

InChI=1S/C32H41BrNO2/c1-6-21-34(7-2,8-3)22-23-36-29-20-19-28(24-25(29)4)32(5,27-17-13-10-14-18-27)31(33)30(35)26-15-11-9-12-16-26/h9-20,24,31H,6-8,21-23H2,1-5H3/q+1