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

Systemtic Name: 6-ethyl-4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-4-[[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]coumarin Formula: C19H26NO3+ MolecularWeight: 316.41464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCCCC3CCO

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCCC[C@@H]3CCO

InChI

InChI=1S/C19H25NO3/c1-2-14-6-7-18-17(11-14)15(12-19(22)23-18)13-20-9-4-3-5-16(20)8-10-21/h6-7,11-12,16,21H,2-5,8-10,13H2,1H3/p+1/t16-/m1/s1