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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-propylsulfonyl-pyridazine Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-propylsulfonyl-pyridazine CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-propylsulfonylpyridazine IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-propylsulfonylpyridazine Traditional Name: 3-(4-piperonylpiperazin-4-ium-1-yl)-6-propylsulfonyl-pyridazine Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NN=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCS(=O)(=O)C1=NN=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H24N4O4S/c1-2-11-28(24,25)19-6-5-18(20-21-19)23-9-7-22(8-10-23)13-15-3-4-16-17(12-15)27-14-26-16/h3-6,12H,2,7-11,13-14H2,1H3/p+1