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

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-4-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 2-keto-3-(4-methoxyphenyl)-4-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)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

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