3-fluoranyl-4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: 3-fluoranyl-4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 3-fluoro-4-[4-(2-furylmethyl)piperazin-4-ium-1-yl]aniline CAS Name: 3-fluoro-4-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 3-fluoro-4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]aniline Traditional Name: [3-fluoro-4-[4-(2-furfuryl)piperazin-4-ium-1-yl]phenyl]amine Formula: C15H19FN3O+ MolecularWeight: 276.329263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C3=C(C=C(C=C3)N)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C3=C(C=C(C=C3)N)F

InChI

InChI=1S/C15H18FN3O/c16-14-10-12(17)3-4-15(14)19-7-5-18(6-8-19)11-13-2-1-9-20-13/h1-4,9-10H,5-8,11,17H2/p+1