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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[(2-keto-6,7-dimethyl-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:

CC[NH+](CC1=CC(=O)OC2=CC(=C(C=C12)C)C)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC[NH+](CC1=CC(=O)OC2=CC(=C(C=C12)C)C)CC(=O)NCC3=CC=CS3

InChI

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