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

Systemtic Name: 3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-5,7-dimethoxy-4-methyl-chromen-2-one Openeye Name: 3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-5,7-dimethoxy-4-methyl-chromen-2-one CAS Name: 3-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-5,7-dimethoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-5,7-dimethoxy-4-methylchromen-2-one Traditional Name: 3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-5,7-dimethoxy-4-methyl-coumarin Formula: C20H27N2O6+ MolecularWeight: 391.43818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6/c1-13-15(12-18(24)22-6-4-21(5-7-22)8-9-23)20(25)28-17-11-14(26-2)10-16(27-3)19(13)17/h10-11,23H,4-9,12H2,1-3H3/p+1