[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methanediamine

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methanediamine Openeye Name: [4-(p-tolylsulfonyl)piperazin-1-ium-1-ylidene]methanediamine CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumylidene]methanediamine IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methanediamine Traditional Name: [amino-(4-tosylpiperazin-1-ium-1-ylidene)methyl]amine Formula: C12H19N4O2S+ MolecularWeight: 283.36986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[N+](=C(N)N)CC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[N+](=C(N)N)CC2

InChI

InChI=1S/C12H18N4O2S/c1-10-2-4-11(5-3-10)19(17,18)16-8-6-15(7-9-16)12(13)14/h2-5H,6-9H2,1H3,(H3,13,14)/p+1