3-(2,5-dimethoxyphenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 3-(2,5-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]coumarin Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=C(C=CC(=C4)OC)OC)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=C(C=CC(=C4)OC)OC)O

InChI

InChI=1S/C24H27NO5/c1-15-8-10-25(11-9-15)14-20-21(26)6-4-16-12-19(24(27)30-23(16)20)18-13-17(28-2)5-7-22(18)29-3/h4-7,12-13,15,26H,8-11,14H2,1-3H3/p+1