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

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methyl-coumarin Formula: C17H24N2O3+2 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-13-2-3-15-14(11-17(21)22-16(15)10-13)12-19-6-4-18(5-7-19)8-9-20/h2-3,10-11,20H,4-9,12H2,1H3/p+2