4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C19H26NO2+ MolecularWeight: 300.41524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3C)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3C)C)C

InChI

InChI=1S/C19H25NO2/c1-12-7-13(2)10-20(9-12)11-16-8-18(21)22-19-15(4)14(3)5-6-17(16)19/h5-6,8,12-13H,7,9-11H2,1-4H3/p+1/t12-,13-/m1/s1