6-chloranyl-3,4-dimethyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-3,4-dimethyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-3,4-dimethyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C18H23ClNO3+ MolecularWeight: 336.83312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C3C(=CC(=C2O)Cl)C(=C(C(=O)O3)C)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C3C(=CC(=C2O)Cl)C(=C(C(=O)O3)C)C

InChI

InChI=1S/C18H22ClNO3/c1-10-5-4-6-20(8-10)9-14-16(21)15(19)7-13-11(2)12(3)18(22)23-17(13)14/h7,10,21H,4-6,8-9H2,1-3H3/p+1/t10-/m1/s1