1-(phenylmethyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-benzylsulfonyl-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-(phenylmethyl)sulfonyl-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-benzylsulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(3-thenyl)piperazin-4-ium Formula: C16H21N2O2S2+ MolecularWeight: 337.48014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N2O2S2/c19-22(20,14-15-4-2-1-3-5-15)18-9-7-17(8-10-18)12-16-6-11-21-13-16/h1-6,11,13H,7-10,12,14H2/p+1