[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methanediamine

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methanediamine Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methanediamine CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumylidene]methanediamine IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methanediamine Traditional Name: [amino-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methyl]amine Formula: C13H21N4O2S+ MolecularWeight: 297.39644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O2S/c1-10-3-4-11(2)12(9-10)20(18,19)17-7-5-16(6-8-17)13(14)15/h3-4,9H,5-8H2,1-2H3,(H3,14,15)/p+1