8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methylthiazol-2-yl)-2-oxo-chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(4-methyl-2-thiazolyl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-2-oxochromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-3-(4-methylthiazol-2-yl)chromen-7-olate Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=CC3=C(C(=C(C=C3)[O-])C[NH+]4CCN(CC4)CCO)OC2=O

Isomeric SMILES

CC1=CSC(=N1)C2=CC3=C(C(=C(C=C3)[O-])C[NH+]4CCN(CC4)CCO)OC2=O

InChI

InChI=1S/C20H23N3O4S/c1-13-12-28-19(21-13)15-10-14-2-3-17(25)16(18(14)27-20(15)26)11-23-6-4-22(5-7-23)8-9-24/h2-3,10,12,24-25H,4-9,11H2,1H3