3-(4-chlorophenyl)-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C23H25ClNO3+ MolecularWeight: 398.9025

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3C)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3C)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C23H24ClNO3/c1-14-4-3-11-25(12-14)13-19-20(26)10-9-18-15(2)21(23(27)28-22(18)19)16-5-7-17(24)8-6-16/h5-10,14,26H,3-4,11-13H2,1-2H3/p+1/t14-/m1/s1