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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=CC(=C23)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=CC(=C23)C)C

InChI

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