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

Systemtic Name: [3-fluoranyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methylazanium Openeye Name: [3-fluoro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methylammonium CAS Name: [3-fluoro-4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]methylammonium IUPAC Name: [3-fluoro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methylazanium Traditional Name: [3-fluoro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzyl]ammonium Formula: C13H22FN3+2 MolecularWeight: 239.332283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C[NH3+])F

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C[NH3+])F

InChI

InChI=1S/C13H20FN3/c1-16-4-6-17(7-5-16)10-12-3-2-11(9-15)8-13(12)14/h2-3,8H,4-7,9-10,15H2,1H3/p+2