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

Systemtic Name: 3-(4-methoxyphenyl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)OC)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C23H25NO4/c1-15-4-3-11-24(13-15)14-20-21(25)10-7-17-12-19(23(26)28-22(17)20)16-5-8-18(27-2)9-6-16/h5-10,12,15,25H,3-4,11,13-14H2,1-2H3/p+1/t15-/m1/s1