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

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

Systemtic Name:[7-(dimethylazaniumyl)-4-oxidanyl-4-(2-phenethylphenyl)heptyl]-dimethyl-azanium dichloride
Openeye Name:[7-(dimethylammonio)-4-hydroxy-4-(2-phenethylphenyl)heptyl]-dimethyl-ammonium dichloride
CAS Name:[7-(dimethylammonio)-4-hydroxy-4-(2-phenethylphenyl)heptyl]-dimethylammonium dichloride
IUPAC Name:[7-(dimethylazaniumyl)-4-hydroxy-4-(2-phenethylphenyl)heptyl]-dimethylazanium dichloride
Traditional Name:[7-(dimethylammonio)-4-hydroxy-4-(2-phenethylphenyl)heptyl]-dimethyl-ammonium dichloride
Formula: C25H40Cl2N2O
MolecularWeight: 455.5039
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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)O.[Cl-].[Cl-]


Isomeric SMILES

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


InChI

InChI=1S/C25H38N2O.2ClH/c1-26(2)20-10-18-25(28,19-11-21-27(3)4)24-15-9-8-14-23(24)17-16-22-12-6-5-7-13-22;;/h5-9,12-15,28H,10-11,16-21H2,1-4H3;2*1H


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