4-ethyl-7-methyl-6-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-chromen-2-one

Systemtic Name: 4-ethyl-7-methyl-6-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-chromen-2-one Openeye Name: 4-ethyl-5-hydroxy-7-methyl-6-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 4-ethyl-5-hydroxy-7-methyl-6-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-ethyl-5-hydroxy-7-methyl-6-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 4-ethyl-5-hydroxy-7-methyl-6-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C19H26NO3+ MolecularWeight: 316.41464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C[NH+]3CCCC(C3)C)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C[NH+]3CCC[C@H](C3)C)O

InChI

InChI=1S/C19H25NO3/c1-4-14-9-17(21)23-16-8-13(3)15(19(22)18(14)16)11-20-7-5-6-12(2)10-20/h8-9,12,22H,4-7,10-11H2,1-3H3/p+1/t12-/m1/s1