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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3)C4=CC(=C(C=C4)OC)OC

InChI

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