3-fluoranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenecarbonitrile Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-3-fluoro-benzonitrile CAS Name: 3-fluoro-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-3-fluorobenzonitrile Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-3-fluoro-benzonitrile Formula: C19H19FN3O+ MolecularWeight: 324.372063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O/c20-18-12-16(13-21)6-7-17(18)19(24)23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,12H,8-11,14H2/p+1