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

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-2-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 4-keto-3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-15-21(16-4-6-17(28-3)7-5-16)22(27)18-8-9-20(26)19(23(18)29-15)14-25-12-10-24(2)11-13-25/h4-9,26H,10-14H2,1-3H3