1-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C21H24NO3+ MolecularWeight: 338.42016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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