6,7-dimethyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C18H24NO2+ MolecularWeight: 286.38866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C18H23NO2/c1-12-5-4-6-19(10-12)11-15-9-18(20)21-17-8-14(3)13(2)7-16(15)17/h7-9,12H,4-6,10-11H2,1-3H3/p+1/t12-/m1/s1