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

Systemtic Name: 6-chloranyl-4-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-methyl-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C17H21ClNO3+ MolecularWeight: 322.80654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO3/c1-10-7-15(20)22-17-12(10)8-14(18)16(21)13(17)9-19-6-4-3-5-11(19)2/h7-8,11,21H,3-6,9H2,1-2H3/p+1/t11-/m1/s1