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

Systemtic Name: 2-[(4S)-2-azanyl-3-cyano-4-(2-ethoxyphenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4S)-2-amino-3-cyano-4-(2-ethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4S)-2-amino-3-cyano-4-(2-ethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylammonium IUPAC Name: 2-[(4S)-2-amino-3-cyano-4-(2-ethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium Traditional Name: 2-[(4S)-2-amino-3-cyano-5-keto-7-methyl-4-o-phenetyl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium Formula: C22H27N4O3+ MolecularWeight: 395.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(OC3=C2C(=O)N(C(=C3)C)CC[NH+](C)C)N)C#N

Isomeric SMILES

CCOC1=CC=CC=C1[C@H]2C(=C(OC3=C2C(=O)N(C(=C3)C)CC[NH+](C)C)N)C#N

InChI

InChI=1S/C22H26N4O3/c1-5-28-17-9-7-6-8-15(17)19-16(13-23)21(24)29-18-12-14(2)26(11-10-25(3)4)22(27)20(18)19/h6-9,12,19H,5,10-11,24H2,1-4H3/p+1/t19-/m0/s1