5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-4,6-dimethyl-pyran-2-one

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-4,6-dimethyl-pyran-2-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-4,6-dimethyl-pyran-2-one CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-4,6-dimethyl-2-pyranone IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-4,6-dimethylpyran-2-one Traditional Name: 4,6-dimethyl-5-(4-piperonylpiperazin-4-ium-1-carbonyl)pyran-2-one Formula: C20H23N2O5+ MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H22N2O5/c1-13-9-18(23)27-14(2)19(13)20(24)22-7-5-21(6-8-22)11-15-3-4-16-17(10-15)26-12-25-16/h3-4,9-10H,5-8,11-12H2,1-2H3/p+1