2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-thenyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C16H18N3O2S2+ MolecularWeight: 348.46302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H17N3O2S2/c17-11-15-3-1-2-4-16(15)23(20,21)19-8-6-18(7-9-19)12-14-5-10-22-13-14/h1-5,10,13H,6-9,12H2/p+1