1-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[(3R)-3-methylolpiperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)CO

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)CO

InChI

InChI=1S/C20H21NO3/c22-13-14-4-3-9-21(11-14)12-16-10-19(23)24-18-8-7-15-5-1-2-6-17(15)20(16)18/h1-2,5-8,10,14,22H,3-4,9,11-13H2/p+1/t14-/m1/s1