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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-phenylmethoxy-1H-pyridin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-benzyloxy-1H-pyridin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-5-phenylmethoxy-1H-pyridin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-phenylmethoxy-1H-pyridin-4-one Traditional Name: 5-benzoxy-2-(4-piperonylpiperazin-4-ium-1-carbonyl)-4-pyridone Formula: C25H26N3O5+ MolecularWeight: 448.49104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=O)C(=CN4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=O)C(=CN4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H25N3O5/c29-21-13-20(26-14-24(21)31-16-18-4-2-1-3-5-18)25(30)28-10-8-27(9-11-28)15-19-6-7-22-23(12-19)33-17-32-22/h1-7,12-14H,8-11,15-17H2,(H,26,29)/p+1