8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxidanylidene-3-phenyl-chromen-7-olate

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxo-3-phenyl-chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-methyl-4-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxo-3-phenylchromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-2-methyl-3-phenyl-chromen-7-olate Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)CCO)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)CCO)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4/c1-16-21(17-5-3-2-4-6-17)22(28)18-7-8-20(27)19(23(18)29-16)15-25-11-9-24(10-12-25)13-14-26/h2-8,26-27H,9-15H2,1H3