1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-phenyl-phthalazine

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-phenyl-phthalazine Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-phenyl-phthalazine CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-phenylphthalazine IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-phenylphthalazine Traditional Name: 1-phenyl-4-(4-piperonylpiperazin-4-ium-1-yl)phthalazine Formula: C26H25N4O2+ MolecularWeight: 425.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NN=C(C5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NN=C(C5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C26H24N4O2/c1-2-6-20(7-3-1)25-21-8-4-5-9-22(21)26(28-27-25)30-14-12-29(13-15-30)17-19-10-11-23-24(16-19)32-18-31-23/h1-11,16H,12-15,17-18H2/p+1