3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C16H17ClN3O2S2+ MolecularWeight: 382.90808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H16ClN3O2S2/c17-16-5-4-14(23-16)12-19-6-8-20(9-7-19)24(21,22)15-3-1-2-13(10-15)11-18/h1-5,10H,6-9,12H2/p+1