1-(1-benzothiophen-3-ylmethyl)-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-(benzothiophen-3-ylmethyl)piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-besyl-piperazin-1-ium Formula: C19H21N2O2S2+ MolecularWeight: 373.51224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H20N2O2S2/c22-25(23,17-6-2-1-3-7-17)21-12-10-20(11-13-21)14-16-15-24-19-9-5-4-8-18(16)19/h1-9,15H,10-14H2/p+1