[7-(dimethylazaniumyl)-4-(2-phenethylphenyl)heptyl]-dimethyl-azanium dichloride

Systemtic Name: [7-(dimethylazaniumyl)-4-(2-phenethylphenyl)heptyl]-dimethyl-azanium dichloride Openeye Name: [7-(dimethylammonio)-4-(2-phenethylphenyl)heptyl]-dimethyl-ammonium dichloride CAS Name: [7-(dimethylammonio)-4-(2-phenethylphenyl)heptyl]-dimethylammonium dichloride IUPAC Name: [7-(dimethylazaniumyl)-4-(2-phenethylphenyl)heptyl]-dimethylazanium dichloride Traditional Name: [7-(dimethylammonio)-4-(2-phenethylphenyl)heptyl]-dimethyl-ammonium dichloride Formula: C25H40Cl2N2 MolecularWeight: 439.5045

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC(CCC[NH+](C)C)C1=CC=CC=C1CCC2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCCC(CCC[NH+](C)C)C1=CC=CC=C1CCC2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C25H38N2.2ClH/c1-26(2)20-10-15-23(16-11-21-27(3)4)25-17-9-8-14-24(25)19-18-22-12-6-5-7-13-22;;/h5-9,12-14,17,23H,10-11,15-16,18-21H2,1-4H3;2*1H