2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-6-fluoro-benzonitrile Formula: C18H18ClFN3+ MolecularWeight: 330.807023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN3/c19-15-4-1-3-14(11-15)13-22-7-9-23(10-8-22)18-6-2-5-17(20)16(18)12-21/h1-6,11H,7-10,13H2/p+1