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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-6-fluoro-benzonitrile Formula: C19H18FN4+ MolecularWeight: 321.371423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN4/c20-18-2-1-3-19(17(18)13-22)24-10-8-23(9-11-24)14-16-6-4-15(12-21)5-7-16/h1-7H,8-11,14H2/p+1