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

Systemtic Name: 1-(phenylsulfonyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(benzenesulfonyl)-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-besyl-4-(3-thenyl)piperazin-4-ium Formula: C15H19N2O2S2+ MolecularWeight: 323.45356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H18N2O2S2/c18-21(19,15-4-2-1-3-5-15)17-9-7-16(8-10-17)12-14-6-11-20-13-14/h1-6,11,13H,7-10,12H2/p+1