4-fluoranyl-3-[(4-phenethylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[(4-phenethylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[(4-phenethylpiperazin-4-ium-1-yl)methyl]benzonitrile CAS Name: 4-fluoro-3-[(4-phenethyl-1-piperazin-4-iumyl)methyl]benzonitrile IUPAC Name: 4-fluoro-3-[(4-phenethylpiperazin-4-ium-1-yl)methyl]benzonitrile Traditional Name: 4-fluoro-3-[(4-phenethylpiperazin-4-ium-1-yl)methyl]benzonitrile Formula: C20H23FN3+ MolecularWeight: 324.415123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C20H22FN3/c21-20-7-6-18(15-22)14-19(20)16-24-12-10-23(11-13-24)9-8-17-4-2-1-3-5-17/h1-7,14H,8-13,16H2/p+1