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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-4-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-2-keto-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-])C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-])C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H28N2O5/c1-15-17-6-7-19(27)18(14-26-11-9-25(2)10-12-26)23(17)31-24(28)22(15)16-5-8-20(29-3)21(13-16)30-4/h5-8,13,27H,9-12,14H2,1-4H3