[(1S)-2-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(4-bromophenyl)-4-oxo-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[4-(4-bromophenyl)-1,4-dioxobutyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(4-bromophenyl)-4-keto-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2

InChI

InChI=1S/C20H23BrN2O2/c1-23(2)18(15-6-4-3-5-7-15)14-22-20(25)13-12-19(24)16-8-10-17(21)11-9-16/h3-11,18H,12-14H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1