6,8-bis(chloranyl)-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 6,8-bis(chloranyl)-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6,8-dichloro-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6,8-dichloro-3-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6,8-dichloro-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6,8-dichloro-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C16H18Cl2NO2+ MolecularWeight: 327.22562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C16H17Cl2NO2/c1-10-4-2-3-5-19(10)8-11-9-21-16-13(15(11)20)6-12(17)7-14(16)18/h6-7,9-10H,2-5,8H2,1H3/p+1/t10-/m1/s1