1-(4-fluorophenyl)-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]phthalazin-3-ium

Systemtic Name: 1-(4-fluorophenyl)-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]phthalazin-3-ium Openeye Name: 1-(4-fluorophenyl)-4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-1-yl]phthalazin-3-ium CAS Name: 1-(4-fluorophenyl)-4-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazinyl]phthalazin-3-ium IUPAC Name: 1-(4-fluorophenyl)-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]phthalazin-3-ium Traditional Name: 1-(4-fluorophenyl)-4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazino]phthalazin-3-ium Formula: C23H26FN4O+ MolecularWeight: 393.477143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCN(CC2)C3=[NH+]N=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1C[C@@H](OC1)CN2CCN(CC2)C3=[NH+]N=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H25FN4O/c24-18-9-7-17(8-10-18)22-20-5-1-2-6-21(20)23(26-25-22)28-13-11-27(12-14-28)16-19-4-3-15-29-19/h1-2,5-10,19H,3-4,11-16H2/p+1/t19-/m1/s1