3-(2,5-dimethoxyphenyl)-4-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O)C4=C(C=CC(=C4)OC)OC

InChI

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