3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]chromone Formula: C15H18NO3+ MolecularWeight: 260.30832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3/c17-12-4-3-7-16(9-12)8-11-10-19-14-6-2-1-5-13(14)15(11)18/h1-2,5-6,10,12,17H,3-4,7-9H2/p+1/t12-/m0/s1