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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

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