3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]aniline

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]aniline Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]aniline CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]aniline Traditional Name: [3-[[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=C2)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)N)C3=CC=C(C=C3)F

InChI

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