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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-methyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3C)C4=CC(=C(C=C4)OC)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-15-7-5-6-12-26(15)14-19-20(27)10-9-18-16(2)23(25(28)31-24(18)19)17-8-11-21(29-3)22(13-17)30-4/h8-11,13,15,27H,5-7,12,14H2,1-4H3/p+1/t15-/m0/s1