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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C24H27NO5 MolecularWeight: 409.47488

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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