4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzo[h]chromen-2-one

Systemtic Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzo[h]chromen-2-one Openeye Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzo[h]chromen-2-one CAS Name: 4-[[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]-2-benzo[h][1]benzopyranone IUPAC Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzo[h]chromen-2-one Traditional Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzo[h]chromen-2-one Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CC2=CC(=O)OC3=C2C=CC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+]([C@H](C1)CCO)CC2=CC(=O)OC3=C2C=CC4=CC=CC=C43

InChI

InChI=1S/C21H23NO3/c23-12-10-17-6-3-4-11-22(17)14-16-13-20(24)25-21-18-7-2-1-5-15(18)8-9-19(16)21/h1-2,5,7-9,13,17,23H,3-4,6,10-12,14H2/p+1/t17-/m1/s1