[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-dimethyl-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)azanium bromide

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl]-dimethyl-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)azanium bromide Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl]-[2-hydroxy-3-(1-naphthyloxy)propyl]-dimethyl-ammonium bromide CAS Name: [2-(4-bromophenyl)-2-oxoethyl]-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-dimethylammonium bromide IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium bromide Traditional Name: [2-(4-bromophenyl)-2-keto-ethyl]-[2-hydroxy-3-(1-naphthoxy)propyl]-dimethyl-ammonium bromide Formula: C23H25Br2NO3 MolecularWeight: 523.2575

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(COC1=CC=CC2=CC=CC=C21)O)CC(=O)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

C[N+](C)(CC(COC1=CC=CC2=CC=CC=C21)O)CC(=O)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C23H25BrNO3.BrH/c1-25(2,15-22(27)18-10-12-19(24)13-11-18)14-20(26)16-28-23-9-5-7-17-6-3-4-8-21(17)23;/h3-13,20,26H,14-16H2,1-2H3;1H/q+1;/p-1