4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanylidene-chromen-6-olate

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanylidene-chromen-6-olate Openeye Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxo-chromen-6-olate CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-7-methyl-2-oxo-1-benzopyran-6-olate IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxochromen-6-olate Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-7-methyl-chromen-6-olate Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)CCO)[O-]

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)CCO)[O-]

InChI

InChI=1S/C17H22N2O4/c1-12-8-16-14(10-15(12)21)13(9-17(22)23-16)11-19-4-2-18(3-5-19)6-7-20/h8-10,20-21H,2-7,11H2,1H3