3-[[(3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[(3S)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[(3S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(3S)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[(3S)-3-piperonyloylpiperidin-1-ium-1-yl]methyl]chromone Formula: C23H22NO5+ MolecularWeight: 392.42448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC3=CC=CC=C3C2=O)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC3=CC=CC=C3C2=O)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21NO5/c25-22(15-7-8-20-21(10-15)29-14-28-20)16-4-3-9-24(11-16)12-17-13-27-19-6-2-1-5-18(19)23(17)26/h1-2,5-8,10,13,16H,3-4,9,11-12,14H2/p+1/t16-/m0/s1