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

Systemtic Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCC3CCO

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC[C@@H]3CCO

InChI

InChI=1S/C18H23NO3/c1-13-5-6-16-14(11-18(21)22-17(16)10-13)12-19-8-3-2-4-15(19)7-9-20/h5-6,10-11,15,20H,2-4,7-9,12H2,1H3/p+1/t15-/m1/s1