4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methyl-5-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methyl-5-oxidanyl-chromen-2-one Openeye Name: 5-hydroxy-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 5-hydroxy-4-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 5-hydroxy-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 5-hydroxy-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methyl-coumarin Formula: C17H24N2O4+2 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CCO)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CCO)C(=C1)O

InChI

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