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

Systemtic Name: 3-(4-methoxycarbonylphenoxy)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-methoxycarbonylphenoxy)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-methoxycarbonylphenoxy)-2-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxycarbonylphenoxy)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-carbomethoxyphenoxy)-4-keto-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H26N2O6 MolecularWeight: 438.47304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)C)OC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)C)OC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H26N2O6/c1-15-22(32-17-6-4-16(5-7-17)24(29)30-3)21(28)18-8-9-20(27)19(23(18)31-15)14-26-12-10-25(2)11-13-26/h4-9,27H,10-14H2,1-3H3