2-fluoranyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-fluoro-benzonitrile CAS Name: 2-fluoro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-fluorobenzonitrile Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-fluoro-benzonitrile Formula: C18H19FN3+ MolecularWeight: 296.361963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C18H18FN3/c19-17-7-4-8-18(16(17)13-20)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8H,9-12,14H2/p+1