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

Systemtic Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-fluoro-benzonitrile CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-fluorobenzonitrile Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-fluoro-benzonitrile Formula: C14H19FN3+ MolecularWeight: 248.319163

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C14H18FN3/c1-2-17-5-7-18(8-6-17)11-13-9-12(10-16)3-4-14(13)15/h3-4,9H,2,5-8,11H2,1H3/p+1