7,8-dimethyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[(3S)-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=C2C=CC(=C3C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO2/c1-12-5-4-8-19(10-12)11-15-9-17(20)21-18-14(3)13(2)6-7-16(15)18/h6-7,9,12H,4-5,8,10-11H2,1-3H3/p+1/t12-/m0/s1