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

Systemtic Name: 3-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]amine Formula: C17H21FN3+ MolecularWeight: 286.367143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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