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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4/c1-12-8-17-15(10-16(12)21)13(9-18(22)23-17)11-19-6-3-2-4-14(19)5-7-20/h8-10,14,20-21H,2-7,11H2,1H3/p+1/t14-/m1/s1