8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-7-oxidanyl-3-phenyl-chromen-4-one

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-3-phenyl-chromen-4-one CAS Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-3-phenyl-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-3-phenylchromen-4-one Traditional Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-3-phenyl-chromone Formula: C23H28N2O4+2 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CC[NH+](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/p+2