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

Systemtic Name: 3-fluoranyl-4-[(4-propylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[(4-propylpiperazin-4-ium-1-yl)methyl]benzonitrile CAS Name: 3-fluoro-4-[(4-propyl-1-piperazin-4-iumyl)methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(4-propylpiperazin-4-ium-1-yl)methyl]benzonitrile Traditional Name: 3-fluoro-4-[(4-propylpiperazin-4-ium-1-yl)methyl]benzonitrile Formula: C15H21FN3+ MolecularWeight: 262.345743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20FN3/c1-2-5-18-6-8-19(9-7-18)12-14-4-3-13(11-17)10-15(14)16/h3-4,10H,2,5-9,12H2,1H3/p+1