4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methylchromen-2-one Traditional Name: 7-hydroxy-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-coumarin Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CCO)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CCO)O

InChI

InChI=1S/C17H22N2O4/c1-12-15(21)3-2-14-13(10-16(22)23-17(12)14)11-19-6-4-18(5-7-19)8-9-20/h2-3,10,20-21H,4-9,11H2,1H3/p+1