4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one CAS Name: 4-[[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-5,7-dimethylchromen-2-one Traditional Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-5,7-dimethyl-coumarin Formula: C19H26NO3+ MolecularWeight: 316.41464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCC3CCO)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC[C@@H]3CCO)C

InChI

InChI=1S/C19H25NO3/c1-13-9-14(2)19-15(11-18(22)23-17(19)10-13)12-20-7-4-3-5-16(20)6-8-21/h9-11,16,21H,3-8,12H2,1-2H3/p+1/t16-/m1/s1