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

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-4-methyl-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C24H28NO4+ MolecularWeight: 394.48342

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4/c1-15-5-4-12-25(13-15)14-20-21(26)11-10-19-16(2)22(24(27)29-23(19)20)17-6-8-18(28-3)9-7-17/h6-11,15,26H,4-5,12-14H2,1-3H3/p+1/t15-/m1/s1