4-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]butyronitrile Formula: C12H17ClN3O2S2+ MolecularWeight: 334.86528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C12H16ClN3O2S2/c13-11-3-4-12(19-11)20(17,18)16-9-7-15(8-10-16)6-2-1-5-14/h3-4H,1-2,6-10H2/p+1