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

Systemtic Name: 7-methyl-4-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one chloride Openeye Name: 7-methyl-4-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one chloride CAS Name: 7-methyl-4-[(2-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one chloride IUPAC Name: 7-methyl-4-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one chloride Traditional Name: 7-methyl-4-[(2-methylpiperidin-1-ium-1-yl)methyl]coumarin chloride Formula: C17H22ClNO2 MolecularWeight: 307.81508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)C.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)C.[Cl-]

InChI

InChI=1S/C17H21NO2.ClH/c1-12-6-7-15-14(10-17(19)20-16(15)9-12)11-18-8-4-3-5-13(18)2;/h6-7,9-10,13H,3-5,8,11H2,1-2H3;1H