2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one Traditional Name: 3-methyl-2-(4-piperonylpiperazin-4-ium-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-one Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N2O5/c1-14-20-16(25)3-2-4-18(20)29-21(14)22(26)24-9-7-23(8-10-24)12-15-5-6-17-19(11-15)28-13-27-17/h5-6,11H,2-4,7-10,12-13H2,1H3/p+1