[4-chloranyl-2-(1-methylpiperidin-1-ium-4-yl)sulfanyl-phenyl]azanium dichloride

Systemtic Name: [4-chloranyl-2-(1-methylpiperidin-1-ium-4-yl)sulfanyl-phenyl]azanium dichloride Openeye Name: [4-chloro-2-(1-methylpiperidin-1-ium-4-yl)sulfanyl-phenyl]ammonium dichloride CAS Name: [4-chloro-2-[(1-methyl-4-piperidin-1-iumyl)thio]phenyl]ammonium dichloride IUPAC Name: [4-chloro-2-(1-methylpiperidin-1-ium-4-yl)sulfanylphenyl]azanium dichloride Traditional Name: [4-chloro-2-[(1-methylpiperidin-1-ium-4-yl)thio]phenyl]ammonium dichloride Formula: C12H19Cl3N2S MolecularWeight: 329.71666

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)SC2=C(C=CC(=C2)Cl)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)SC2=C(C=CC(=C2)Cl)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C12H17ClN2S.2ClH/c1-15-6-4-10(5-7-15)16-12-8-9(13)2-3-11(12)14;;/h2-3,8,10H,4-7,14H2,1H3;2*1H