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

Systemtic Name: ethyl-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[(7-ethyl-2-keto-chromen-4-yl)methyl]-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+](CC)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+](CC)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H24N2O3S/c1-3-15-7-8-18-16(11-21(25)26-19(18)10-15)13-23(4-2)14-20(24)22-12-17-6-5-9-27-17/h5-11H,3-4,12-14H2,1-2H3,(H,22,24)/p+1