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

Systemtic Name: 3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-methyl-chromen-2-one CAS Name: 7-hydroxy-3-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4-methylchromen-2-one Traditional Name: 7-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-4-methyl-coumarin Formula: C18H23N2O5+ MolecularWeight: 347.38562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C18H22N2O5/c1-12-14-3-2-13(22)10-16(14)25-18(24)15(12)11-17(23)20-6-4-19(5-7-20)8-9-21/h2-3,10,21-22H,4-9,11H2,1H3/p+1