1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-fluorophenyl)phthalazin-2-ium

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-fluorophenyl)phthalazin-2-ium Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-fluorophenyl)phthalazin-2-ium CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(4-fluorophenyl)phthalazin-2-ium IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-fluorophenyl)phthalazin-2-ium Traditional Name: 1-(4-fluorophenyl)-4-(4-piperonylpiperazino)phthalazin-3-ium Formula: C26H24FN4O2+ MolecularWeight: 443.492763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=[NH+]N=C(C5=CC=CC=C54)C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=[NH+]N=C(C5=CC=CC=C54)C6=CC=C(C=C6)F

InChI

InChI=1S/C26H23FN4O2/c27-20-8-6-19(7-9-20)25-21-3-1-2-4-22(21)26(29-28-25)31-13-11-30(12-14-31)16-18-5-10-23-24(15-18)33-17-32-23/h1-10,15H,11-14,16-17H2/p+1