2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-[(3-methoxyphenyl)methoxy]-1H-pyridin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-[(3-methoxyphenyl)methoxy]-1H-pyridin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-[(3-methoxyphenyl)methoxy]-1H-pyridin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-5-[(3-methoxyphenyl)methoxy]-1H-pyridin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-[(3-methoxyphenyl)methoxy]-1H-pyridin-4-one Traditional Name: 5-m-anisyloxy-2-(4-piperonylpiperazin-4-ium-1-carbonyl)-4-pyridone Formula: C26H28N3O6+ MolecularWeight: 478.51702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2=CNC(=CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)COC2=CNC(=CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O6/c1-32-20-4-2-3-19(11-20)16-33-25-14-27-21(13-22(25)30)26(31)29-9-7-28(8-10-29)15-18-5-6-23-24(12-18)35-17-34-23/h2-6,11-14H,7-10,15-17H2,1H3,(H,27,30)/p+1