[7-[(dimethylazaniumyl)methyl]-8-oxidanylidene-8-phenyl-2-(phenylcarbonyl)octyl]-dimethyl-azanium dichloride

Systemtic Name: [7-[(dimethylazaniumyl)methyl]-8-oxidanylidene-8-phenyl-2-(phenylcarbonyl)octyl]-dimethyl-azanium dichloride Openeye Name: [2-benzoyl-7-[(dimethylammonio)methyl]-8-oxo-8-phenyl-octyl]-dimethyl-ammonium dichloride CAS Name: [2-benzoyl-7-[(dimethylammonio)methyl]-8-oxo-8-phenyloctyl]-dimethylammonium dichloride IUPAC Name: [2-benzoyl-7-[(dimethylazaniumyl)methyl]-8-oxo-8-phenyloctyl]-dimethylazanium dichloride Traditional Name: [2-benzoyl-7-[(dimethylammonio)methyl]-8-keto-8-phenyl-octyl]-dimethyl-ammonium dichloride Formula: C26H38Cl2N2O2 MolecularWeight: 481.49812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(CCCCC(C[NH+](C)C)C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CC(CCCCC(C[NH+](C)C)C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C26H36N2O2.2ClH/c1-27(2)19-23(25(29)21-13-7-5-8-14-21)17-11-12-18-24(20-28(3)4)26(30)22-15-9-6-10-16-22;;/h5-10,13-16,23-24H,11-12,17-20H2,1-4H3;2*1H