1-[(3-methylphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-(m-tolylmethyl)-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(3-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(3-methylbenzyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H21N2O2S2+ MolecularWeight: 337.48014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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