3-(3,4-dimethoxyphenyl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC(=C(C=C4)OC)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5/c1-15-6-4-5-11-25(15)14-19-20(26)9-7-17-12-18(24(27)30-23(17)19)16-8-10-21(28-2)22(13-16)29-3/h7-10,12-13,15,26H,4-6,11,14H2,1-3H3/p+1/t15-/m0/s1