6,8-bis(bromanyl)-3-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]-2H-chromen-4-one chloride

Systemtic Name: 6,8-bis(bromanyl)-3-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]-2H-chromen-4-one chloride Openeye Name: 6,8-dibromo-3-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]chroman-4-one chloride CAS Name: 6,8-dibromo-3-methyl-3-[(2-methyl-1-piperidin-1-iumyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-one chloride IUPAC Name: 6,8-dibromo-3-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]-2H-chromen-4-one chloride Traditional Name: 6,8-dibromo-3-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]chroman-4-one chloride Formula: C17H22Br2ClNO2 MolecularWeight: 467.62308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2(COC3=C(C=C(C=C3C2=O)Br)Br)C.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CC2(COC3=C(C=C(C=C3C2=O)Br)Br)C.[Cl-]

InChI

InChI=1S/C17H21Br2NO2.ClH/c1-11-5-3-4-6-20(11)9-17(2)10-22-15-13(16(17)21)7-12(18)8-14(15)19;/h7-8,11H,3-6,9-10H2,1-2H3;1H