4-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-propan-2-yl-chromen-2-one chloride

Systemtic Name: 4-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-propan-2-yl-chromen-2-one chloride Openeye Name: 6-isopropyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one chloride CAS Name: 4-[(4-methyl-1-piperidin-1-iumyl)methyl]-6-propan-2-yl-1-benzopyran-2-one chloride IUPAC Name: 4-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-propan-2-ylchromen-2-one chloride Traditional Name: 6-isopropyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]coumarin chloride Formula: C19H26ClNO2 MolecularWeight: 335.86824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=C(C=C3)C(C)C.[Cl-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=C(C=C3)C(C)C.[Cl-]

InChI

InChI=1S/C19H25NO2.ClH/c1-13(2)15-4-5-18-17(10-15)16(11-19(21)22-18)12-20-8-6-14(3)7-9-20;/h4-5,10-11,13-14H,6-9,12H2,1-3H3;1H