4-[[4-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-fluoro-4-methoxy-phenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3-fluoro-4-methoxyphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-fluoro-4-methoxy-phenyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C21H23FN3O2+ MolecularWeight: 368.424623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C21H22FN3O2/c1-27-20-7-6-18(12-19(20)22)13-21(26)25-10-8-24(9-11-25)15-17-4-2-16(14-23)3-5-17/h2-7,12H,8-11,13,15H2,1H3/p+1