2-[(4S)-2-azanyl-3-ethoxycarbonyl-4-(2-fluorophenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4S)-2-azanyl-3-ethoxycarbonyl-4-(2-fluorophenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4S)-2-amino-3-ethoxycarbonyl-4-(2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4S)-2-amino-3-ethoxycarbonyl-4-(2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylammonium IUPAC Name: 2-[(4S)-2-amino-3-ethoxycarbonyl-4-(2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium Traditional Name: 2-[(4S)-2-amino-3-carbethoxy-4-(2-fluorophenyl)-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium Formula: C22H27FN3O4+ MolecularWeight: 416.465883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3F)C(=O)N(C(=C2)C)CC[NH+](C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC=CC=C3F)C(=O)N(C(=C2)C)CC[NH+](C)C)N

InChI

InChI=1S/C22H26FN3O4/c1-5-29-22(28)19-17(14-8-6-7-9-15(14)23)18-16(30-20(19)24)12-13(2)26(21(18)27)11-10-25(3)4/h6-9,12,17H,5,10-11,24H2,1-4H3/p+1/t17-/m0/s1