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

Systemtic Name: [3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]methylazanium Openeye Name: [3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]methylammonium CAS Name: [3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]methylammonium IUPAC Name: [3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]methylazanium Traditional Name: [3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzyl]ammonium Formula: C12H20FN3+2 MolecularWeight: 225.305703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18FN3/c1-15-4-6-16(7-5-15)12-3-2-10(9-14)8-11(12)13/h2-3,8H,4-7,9,14H2,1H3/p+2