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

Systemtic Name: 3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Openeye Name: 3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-methyl-7-(2-methylallyloxy)chromen-2-one CAS Name: 3-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-methyl-7-(2-methylprop-2-enoxy)-1-benzopyran-2-one IUPAC Name: 3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 3-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-15(2)14-28-17-4-5-18-16(3)19(22(27)29-20(18)12-17)13-21(26)24-8-6-23(7-9-24)10-11-25/h4-5,12,25H,1,6-11,13-14H2,2-3H3/p+1