1-(4-ethylphenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(4-ethylphenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-ethylphenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(4-ethylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(4-ethylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(4-ethylphenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H20N2O2S/c1-3-12-4-6-13(7-5-12)18(16,17)15-10-8-14(2)9-11-15/h4-7H,3,8-11H2,1-2H3/p+1