4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butyronitrile Formula: C14H19FN3+ MolecularWeight: 248.319163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H18FN3/c15-13-3-5-14(6-4-13)18-11-9-17(10-12-18)8-2-1-7-16/h3-6H,1-2,8-12H2/p+1