6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-chromen-4-one

Systemtic Name: 6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methylthiazol-2-yl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(4-methyl-2-thiazolyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methylthiazol-2-yl)chromone Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CCN(CC4)CCO)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CCN(CC4)CCO)O

InChI

InChI=1S/C22H27N3O4S/c1-3-15-10-16-20(28)18(22-23-14(2)13-30-22)12-29-21(16)17(19(15)27)11-25-6-4-24(5-7-25)8-9-26/h10,12-13,26-27H,3-9,11H2,1-2H3/p+1