3-[(4R)-2-azanyl-3-cyano-4-(3,4-diethoxyphenyl)-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-diethoxyphenyl)-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-diethoxyphenyl)-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-diethoxyphenyl)-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-diethoxyphenyl)-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-diethoxyphenyl)-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium Formula: C27H37N4O4+ MolecularWeight: 481.60708

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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(=C(C=C3)OCC)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O4/c1-6-30(7-2)13-10-14-31-18(5)15-23-25(27(31)32)24(20(17-28)26(29)35-23)19-11-12-21(33-8-3)22(16-19)34-9-4/h11-12,15-16,24H,6-10,13-14,29H2,1-5H3/p+1/t24-/m1/s1