[5-[(dimethylazaniumyl)methyl]-6-oxidanylidene-6-phenyl-2-(phenylcarbonyl)hexyl]-dimethyl-azanium dichloride

Systemtic Name: [5-[(dimethylazaniumyl)methyl]-6-oxidanylidene-6-phenyl-2-(phenylcarbonyl)hexyl]-dimethyl-azanium dichloride Openeye Name: [2-benzoyl-5-[(dimethylammonio)methyl]-6-oxo-6-phenyl-hexyl]-dimethyl-ammonium dichloride CAS Name: [2-benzoyl-5-[(dimethylammonio)methyl]-6-oxo-6-phenylhexyl]-dimethylammonium dichloride IUPAC Name: [2-benzoyl-5-[(dimethylazaniumyl)methyl]-6-oxo-6-phenylhexyl]-dimethylazanium dichloride Traditional Name: [2-benzoyl-5-[(dimethylammonio)methyl]-6-keto-6-phenyl-hexyl]-dimethyl-ammonium dichloride Formula: C24H34Cl2N2O2 MolecularWeight: 453.44496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O2.2ClH/c1-25(2)17-21(23(27)19-11-7-5-8-12-19)15-16-22(18-26(3)4)24(28)20-13-9-6-10-14-20;;/h5-14,21-22H,15-18H2,1-4H3;2*1H