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

Systemtic Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6-isopropyl-chromen-2-one CAS Name: 4-[[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-6-isopropyl-coumarin Formula: C20H28NO3+ MolecularWeight: 330.44122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCCCC3CCO

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCCC[C@@H]3CCO

InChI

InChI=1S/C20H27NO3/c1-14(2)15-6-7-19-18(11-15)16(12-20(23)24-19)13-21-9-4-3-5-17(21)8-10-22/h6-7,11-12,14,17,22H,3-5,8-10,13H2,1-2H3/p+1/t17-/m1/s1