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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydrobenzofuran-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3,6,6-trimethyl-5,7-dihydrobenzofuran-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one Traditional Name: 3,6,6-trimethyl-2-(4-piperonylpiperazin-4-ium-1-carbonyl)-5,7-dihydrobenzofuran-4-one Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N2O5/c1-15-21-17(27)11-24(2,3)12-20(21)31-22(15)23(28)26-8-6-25(7-9-26)13-16-4-5-18-19(10-16)30-14-29-18/h4-5,10H,6-9,11-14H2,1-3H3/p+1