6-chloranyl-3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[(2R)-2-(hydroxymethyl)-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[(2R)-2-methylolpyrrolidin-1-ium-1-yl]methyl]chromone Formula: C15H17ClNO3+ MolecularWeight: 294.75338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=COC3=C(C2=O)C=C(C=C3)Cl)CO

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=COC3=C(C2=O)C=C(C=C3)Cl)CO

InChI

InChI=1S/C15H16ClNO3/c16-11-3-4-14-13(6-11)15(19)10(9-20-14)7-17-5-1-2-12(17)8-18/h3-4,6,9,12,18H,1-2,5,7-8H2/p+1/t12-/m1/s1