3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(4-bromophenyl)pyridazine

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(4-bromophenyl)pyridazine Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(4-bromophenyl)pyridazine CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-(4-bromophenyl)pyridazine IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(4-bromophenyl)pyridazine Traditional Name: 3-(4-bromophenyl)-6-(4-piperonylpiperazin-4-ium-1-yl)pyridazine Formula: C22H22BrN4O2+ MolecularWeight: 454.33968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O2/c23-18-4-2-17(3-5-18)19-6-8-22(25-24-19)27-11-9-26(10-12-27)14-16-1-7-20-21(13-16)29-15-28-20/h1-8,13H,9-12,14-15H2/p+1