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

Systemtic Name: 4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenyl-chromen-2-one CAS Name: 7-hydroxy-4-methyl-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-3-phenyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenylchromen-2-one Traditional Name: 7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-phenyl-coumarin Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3/c1-15-7-6-12-24(13-15)14-19-20(25)11-10-18-16(2)21(23(26)27-22(18)19)17-8-4-3-5-9-17/h3-5,8-11,15,25H,6-7,12-14H2,1-2H3/p+1/t15-/m1/s1