4-(4-methoxyphenyl)-8-methyl-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-(4-methoxyphenyl)-8-methyl-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-(4-methoxyphenyl)-8-methyl-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4-(4-methoxyphenyl)-8-methyl-6-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-(4-methoxyphenyl)-8-methyl-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 2-keto-4-(4-methoxyphenyl)-8-methyl-6-[(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=C2C(=CC(=C1[O-])C[NH+]3CCN(CC3)C)C(=CC(=O)O2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=CC(=C1[O-])C[NH+]3CCN(CC3)C)C(=CC(=O)O2)C4=CC=C(C=C4)OC

InChI

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