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

Systemtic Name: 4-(4-methoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-(4-methoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4-(4-methoxyphenyl)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-(4-methoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 2-keto-4-(4-methoxyphenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=C(C=C4)OC)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=C(C=C4)OC)[O-]

InChI

InChI=1S/C22H24N2O4/c1-23-9-11-24(12-10-23)14-19-20(25)8-7-17-18(13-21(26)28-22(17)19)15-3-5-16(27-2)6-4-15/h3-8,13,25H,9-12,14H2,1-2H3