1-azoniabicyclo[2.2.2]octan-3-yl-[(4-methylsulfanylphenyl)methyl]azanium dichloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[(4-methylsulfanylphenyl)methyl]azanium dichloride Openeye Name: (4-methylsulfanylphenyl)methyl-quinuclidin-1-ium-3-yl-ammonium dichloride CAS Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[[4-(methylthio)phenyl]methyl]ammonium dichloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[(4-methylsulfanylphenyl)methyl]azanium dichloride Traditional Name: [4-(methylthio)benzyl]-quinuclidin-1-ium-3-yl-ammonium dichloride Formula: C15H24Cl2N2S MolecularWeight: 335.33546

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]C2C[NH+]3CCC2CC3.[Cl-].[Cl-]

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]C2C[NH+]3CCC2CC3.[Cl-].[Cl-]

InChI

InChI=1S/C15H22N2S.2ClH/c1-18-14-4-2-12(3-5-14)10-16-15-11-17-8-6-13(15)7-9-17;;/h2-5,13,15-16H,6-11H2,1H3;2*1H