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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)[O-]

InChI

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