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

Systemtic Name: 3-[(4R)-2-azanyl-4-(3-chlorophenyl)-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-azanium Openeye Name: 3-[(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium CAS Name: 3-[(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylammonium IUPAC Name: 3-[(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylazanium Traditional Name: 3-[(4R)-2-amino-4-(3-chlorophenyl)-3-cyano-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium Formula: C23H28ClN4O2+ MolecularWeight: 427.94702

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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=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2/c1-4-27(5-2)10-7-11-28-15(3)12-19-21(23(28)29)20(18(14-25)22(26)30-19)16-8-6-9-17(24)13-16/h6,8-9,12-13,20H,4-5,7,10-11,26H2,1-3H3/p+1/t20-/m1/s1