3-[(4R)-2-azanyl-3-cyano-4-(2-fluorophenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-azanium

Systemtic Name: 3-[(4R)-2-azanyl-3-cyano-4-(2-fluorophenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-azanium Openeye Name: 3-[(4R)-2-amino-3-cyano-4-(2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium CAS Name: 3-[(4R)-2-amino-3-cyano-4-(2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylammonium IUPAC Name: 3-[(4R)-2-amino-3-cyano-4-(2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylazanium Traditional Name: 3-[(4R)-2-amino-3-cyano-4-(2-fluorophenyl)-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium Formula: C23H28FN4O2+ MolecularWeight: 411.492423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=CC2=C(C1=O)C(C(=C(O2)N)C#N)C3=CC=CC=C3F)C

Isomeric SMILES

CC[NH+](CC)CCCN1C(=CC2=C(C1=O)[C@@H](C(=C(O2)N)C#N)C3=CC=CC=C3F)C

InChI

InChI=1S/C23H27FN4O2/c1-4-27(5-2)11-8-12-28-15(3)13-19-21(23(28)29)20(17(14-25)22(26)30-19)16-9-6-7-10-18(16)24/h6-7,9-10,13,20H,4-5,8,11-12,26H2,1-3H3/p+1/t20-/m1/s1