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

Systemtic Name: 3-fluoranyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzonitrile CAS Name: 3-fluoro-4-[(4-methyl-1-piperazin-4-iumyl)methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzonitrile Traditional Name: 3-fluoro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzonitrile Formula: C13H17FN3+ MolecularWeight: 234.292583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3/c1-16-4-6-17(7-5-16)10-12-3-2-11(9-15)8-13(12)14/h2-3,8H,4-7,10H2,1H3/p+1