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

Systemtic Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C18H24NO2+ MolecularWeight: 286.38866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)C)C

InChI

InChI=1S/C18H23NO2/c1-12-4-5-16-15(8-18(20)21-17(16)7-12)11-19-9-13(2)6-14(3)10-19/h4-5,7-8,13-14H,6,9-11H2,1-3H3/p+1/t13-,14-/m1/s1