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

Systemtic Name: 2-fluoranyl-6-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]benzonitrile Formula: C20H23FN3+ MolecularWeight: 324.415123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)C3=C(C(=CC=C3)F)C#N

InChI

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