3-(3,4-dimethoxyphenyl)-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-15-9-11-26(12-10-15)14-19-20(27)7-6-18-24(28)23(16(2)31-25(18)19)17-5-8-21(29-3)22(13-17)30-4/h5-8,13,15,27H,9-12,14H2,1-4H3