ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC)CC(=O)NCC3=CC=CS3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC)CC(=O)NCC3=CC=CS3)O

InChI

InChI=1S/C21H24N2O4S/c1-3-14-8-17-15(9-21(26)27-19(17)10-18(14)24)12-23(4-2)13-20(25)22-11-16-6-5-7-28-16/h5-10,24H,3-4,11-13H2,1-2H3,(H,22,25)/p+1