6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-4-one

Systemtic Name: 6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-3-(4-methyl-2-thiazolyl)-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)chromone Formula: C20H23N2O4S+ MolecularWeight: 387.47262

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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+]4CCOCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CCOCC4)O

InChI

InChI=1S/C20H22N2O4S/c1-3-13-8-14-18(24)16(20-21-12(2)11-27-20)10-26-19(14)15(17(13)23)9-22-4-6-25-7-5-22/h8,10-11,23H,3-7,9H2,1-2H3/p+1