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

Systemtic Name: 8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-phenyl-chromen-2-one CAS Name: 7-hydroxy-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-phenylchromen-2-one Traditional Name: 7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-phenyl-coumarin Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

InChI

InChI=1S/C22H23NO3/c1-15-6-5-11-23(13-15)14-19-20(24)10-9-17-18(12-21(25)26-22(17)19)16-7-3-2-4-8-16/h2-4,7-10,12,15,24H,5-6,11,13-14H2,1H3/p+1/t15-/m1/s1