[3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Openeye Name: [3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylammonium CAS Name: [3-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]phenyl]methylammonium IUPAC Name: [3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Traditional Name: [3-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzyl]ammonium Formula: C18H24FN3+2 MolecularWeight: 301.401663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C[NH3+])C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C[NH3+])C3=CC=CC=C3F

InChI

InChI=1S/C18H22FN3/c19-17-6-1-2-7-18(17)22-10-8-21(9-11-22)14-16-5-3-4-15(12-16)13-20/h1-7,12H,8-11,13-14,20H2/p+2