6-ethyl-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(3R)-3-methylolpiperidin-1-ium-1-yl]methyl]coumarin Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCC(C3)CO)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H](C3)CO)O

InChI

InChI=1S/C18H23NO4/c1-2-13-6-15-14(7-18(22)23-17(15)8-16(13)21)10-19-5-3-4-12(9-19)11-20/h6-8,12,20-21H,2-5,9-11H2,1H3/p+1/t12-/m1/s1