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

Systemtic Name: 3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2-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=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

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