2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]aniline

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]aniline Openeye Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]aniline CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]aniline Traditional Name: [2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]amine Formula: C17H21FN3+ MolecularWeight: 286.367143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2N)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3/c18-15-5-7-16(8-6-15)21-11-9-20(10-12-21)13-14-3-1-2-4-17(14)19/h1-8H,9-13,19H2/p+1