1-[(4-methylphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-(p-tolylmethyl)-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(4-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(4-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(4-methylbenzyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H21N2O2S2+ MolecularWeight: 337.48014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

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