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

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxo-chromen-7-olate CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-8-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-2-oxochromen-7-olate Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-8-methyl-chromen-7-olate Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-12-15(21)3-2-14-13(10-16(22)23-17(12)14)11-19-6-4-18(5-7-19)8-9-20/h2-3,10,20-21H,4-9,11H2,1H3