4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6,7-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6,7-bis(oxidanyl)chromen-2-one Openeye Name: 6,7-dihydroxy-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dihydroxy-4-[[(2S)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dihydroxy-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dihydroxy-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]coumarin Formula: C17H22NO5+ MolecularWeight: 320.36028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CC2=CC(=O)OC3=CC(=C(C=C23)O)O

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCO)CC2=CC(=O)OC3=CC(=C(C=C23)O)O

InChI

InChI=1S/C17H21NO5/c19-6-4-12-3-1-2-5-18(12)10-11-7-17(22)23-16-9-15(21)14(20)8-13(11)16/h7-9,12,19-21H,1-6,10H2/p+1/t12-/m0/s1