[4-azanyl-4-oxidanylidene-3-(2-phenylphenyl)butyl]-dimethyl-prop-2-enyl-azanium bromide

Systemtic Name: [4-azanyl-4-oxidanylidene-3-(2-phenylphenyl)butyl]-dimethyl-prop-2-enyl-azanium bromide Openeye Name: allyl-[4-amino-4-oxo-3-(2-phenylphenyl)butyl]-dimethyl-ammonium bromide CAS Name: [4-amino-4-oxo-3-(2-phenylphenyl)butyl]-dimethyl-prop-2-enylammonium bromide IUPAC Name: [4-amino-4-oxo-3-(2-phenylphenyl)butyl]-dimethyl-prop-2-enylazanium bromide Traditional Name: allyl-[4-amino-4-keto-3-(2-phenylphenyl)butyl]-dimethyl-ammonium bromide Formula: C21H27BrN2O MolecularWeight: 403.35588

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC(C1=CC=CC=C1C2=CC=CC=C2)C(=O)N)CC=C.[Br-]

Isomeric SMILES

C[N+](C)(CCC(C1=CC=CC=C1C2=CC=CC=C2)C(=O)N)CC=C.[Br-]

InChI

InChI=1S/C21H26N2O.BrH/c1-4-15-23(2,3)16-14-20(21(22)24)19-13-9-8-12-18(19)17-10-6-5-7-11-17;/h4-13,20H,1,14-16H2,2-3H3,(H-,22,24);1H