4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-carbaldehyde chloride

Systemtic Name: 4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-carbaldehyde chloride Openeye Name: 4-(p-tolylsulfonyl)piperazin-1-ium-1-carbaldehyde chloride CAS Name: 4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumcarboxaldehyde chloride IUPAC Name: 4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-carbaldehyde chloride Traditional Name: 4-tosylpiperazin-1-ium-1-carbaldehyde chloride Formula: C12H17ClN2O3S MolecularWeight: 304.79298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C=O.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C=O.[Cl-]

InChI

InChI=1S/C12H16N2O3S.ClH/c1-11-2-4-12(5-3-11)18(16,17)14-8-6-13(10-15)7-9-14;/h2-5,10H,6-9H2,1H3;1H