1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone; methanesulfonic acid

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone; methanesulfonic acid Openeye Name: 1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone; methanesulfonic acid CAS Name: 1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methanone; methanesulfonic acid IUPAC Name: 1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone; methanesulfonic acid Traditional Name: 1,3-benzodioxol-5-yl-(4-piperonylpiperazino)methanone; mesylic acid Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N2O5.CH4O3S/c23-20(15-2-4-17-19(10-15)27-13-25-17)22-7-5-21(6-8-22)11-14-1-3-16-18(9-14)26-12-24-16;1-5(2,3)4/h1-4,9-10H,5-8,11-13H2;1H3,(H,2,3,4)