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

Systemtic Name: 3-[(4R)-2-azanyl-3-cyano-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-azanium Openeye Name: 3-[(4R)-2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium CAS Name: 3-[(4R)-2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylammonium IUPAC Name: 3-[(4R)-2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylazanium Traditional Name: 3-[(4R)-2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium Formula: C25H33N4O4+ MolecularWeight: 453.55392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4/c1-6-28(7-2)11-8-12-29-16(3)13-21-23(25(29)30)22(18(15-26)24(27)33-21)17-9-10-19(31-4)20(14-17)32-5/h9-10,13-14,22H,6-8,11-12,27H2,1-5H3/p+1/t22-/m1/s1