1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(p-tolylsulfonyl)-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-thenyl)-4-tosyl-piperazin-1-ium Formula: C16H21N2O2S2+ MolecularWeight: 337.48014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C16H20N2O2S2/c1-14-4-6-16(7-5-14)22(19,20)18-10-8-17(9-11-18)13-15-3-2-12-21-15/h2-7,12H,8-11,13H2,1H3/p+1