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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(phenylsulfonyl)pyridazine Openeye Name: 3-(benzenesulfonyl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridazine CAS Name: 3-(benzenesulfonyl)-6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]pyridazine IUPAC Name: 3-(benzenesulfonyl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridazine Traditional Name: 3-besyl-6-(4-piperonylpiperazin-4-ium-1-yl)pyridazine Formula: C22H23N4O4S+ MolecularWeight: 439.50742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S/c27-31(28,18-4-2-1-3-5-18)22-9-8-21(23-24-22)26-12-10-25(11-13-26)15-17-6-7-19-20(14-17)30-16-29-19/h1-9,14H,10-13,15-16H2/p+1