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

Systemtic Name: 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C14H19FN3O2S+ MolecularWeight: 312.382963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C14H18FN3O2S/c15-13-5-1-2-6-14(13)21(19,20)18-11-9-17(10-12-18)8-4-3-7-16/h1-2,5-6H,3-4,8-12H2/p+1