4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethyl-coumarin Formula: C19H26NO3+ MolecularWeight: 316.41464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCCC3CCO)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCC[C@@H]3CCO)C

InChI

InChI=1S/C19H25NO3/c1-13-9-17-15(11-19(22)23-18(17)10-14(13)2)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