5,7-dimethyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC(=O)OC3=CC(=CC(=C23)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO2/c1-12-8-13(2)18-15(10-17(20)21-16(18)9-12)11-19-7-5-4-6-14(19)3/h8-10,14H,4-7,11H2,1-3H3/p+1/t14-/m0/s1