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

Systemtic Name: 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-6-olate Openeye Name: 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-6-olate CAS Name: 4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-6-olate IUPAC Name: 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-6-olate Traditional Name: 2-keto-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-6-olate Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C=C4)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C=C4)[O-]

InChI

InChI=1S/C21H22N2O4/c1-26-20-5-3-2-4-18(20)23-10-8-22(9-11-23)14-15-12-21(25)27-19-7-6-16(24)13-17(15)19/h2-7,12-13,24H,8-11,14H2,1H3