N-(4-chlorophenyl)sulfonyl-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)sulfonyl-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-chlorophenyl)sulfonyl-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-chlorophenyl)sulfonyl-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-chlorophenyl)sulfonyl-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-chlorophenyl)sulfonyl-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C12H17ClN3O2S2+ MolecularWeight: 334.86528

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H16ClN3O2S2/c1-15-6-8-16(9-7-15)12(19)14-20(17,18)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,19)/p+1