4-(5-chloranyl-2-nitro-phenyl)sulfanyl-1-methyl-piperidin-1-ium chloride

Systemtic Name: 4-(5-chloranyl-2-nitro-phenyl)sulfanyl-1-methyl-piperidin-1-ium chloride Openeye Name: 4-(5-chloro-2-nitro-phenyl)sulfanyl-1-methyl-piperidin-1-ium chloride CAS Name: 4-[(5-chloro-2-nitrophenyl)thio]-1-methylpiperidin-1-ium chloride IUPAC Name: 4-(5-chloro-2-nitrophenyl)sulfanyl-1-methylpiperidin-1-ium chloride Traditional Name: 4-[(5-chloro-2-nitro-phenyl)thio]-1-methyl-piperidin-1-ium chloride Formula: C12H16Cl2N2O2S MolecularWeight: 323.23864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O2S.ClH/c1-14-6-4-10(5-7-14)18-12-8-9(13)2-3-11(12)15(16)17;/h2-3,8,10H,4-7H2,1H3;1H