[(E)-7-(dimethylazaniumyl)-4-(2-phenethylphenyl)hept-3-enyl]-dimethyl-azanium dichloride

Systemtic Name: [(E)-7-(dimethylazaniumyl)-4-(2-phenethylphenyl)hept-3-enyl]-dimethyl-azanium dichloride Openeye Name: [(E)-7-(dimethylammonio)-4-(2-phenethylphenyl)hept-3-enyl]-dimethyl-ammonium dichloride CAS Name: [(E)-7-(dimethylammonio)-4-(2-phenethylphenyl)hept-3-enyl]-dimethylammonium dichloride IUPAC Name: [(E)-7-(dimethylazaniumyl)-4-(2-phenethylphenyl)hept-3-enyl]-dimethylazanium dichloride Traditional Name: [(E)-7-(dimethylammonio)-4-(2-phenethylphenyl)hept-3-enyl]-dimethyl-ammonium dichloride Formula: C25H38Cl2N2 MolecularWeight: 437.48862

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

InChI

InChI=1S/C25H36N2.2ClH/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;;/h5-9,12-15,17H,10-11,16,18-21H2,1-4H3;2*1H/b23-15+;;