3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-5,7-bis(oxidanyl)chromen-2-one

Systemtic Name: 3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-5,7-bis(oxidanyl)chromen-2-one Openeye Name: 5,7-dihydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-methyl-chromen-2-one CAS Name: 5,7-dihydroxy-3-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-methyl-1-benzopyran-2-one IUPAC Name: 5,7-dihydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4-methylchromen-2-one Traditional Name: 5,7-dihydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-4-methyl-coumarin Formula: C18H23N2O6+ MolecularWeight: 363.38502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C18H22N2O6/c1-11-13(10-16(24)20-4-2-19(3-5-20)6-7-21)18(25)26-15-9-12(22)8-14(23)17(11)15/h8-9,21-23H,2-7,10H2,1H3/p+1