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

Systemtic Name: 5,7-dimethyl-4-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one chloride Openeye Name: 5,7-dimethyl-4-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one chloride CAS Name: 5,7-dimethyl-4-[(2-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one chloride IUPAC Name: 5,7-dimethyl-4-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one chloride Traditional Name: 5,7-dimethyl-4-[(2-methylpiperidin-1-ium-1-yl)methyl]coumarin chloride Formula: C18H24ClNO2 MolecularWeight: 321.84166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO2.ClH/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;1H