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

Systemtic Name: 2-[(4S)-2-azanyl-3-cyano-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4S)-2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4S)-2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylammonium IUPAC Name: 2-[(4S)-2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium Traditional Name: 2-[(4S)-2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)N1CC[NH+](C)C

Isomeric SMILES

CC1=CC2=C([C@H](C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)N1CC[NH+](C)C

InChI

InChI=1S/C22H26N4O4/c1-13-10-18-20(22(27)26(13)9-8-25(2)3)19(15(12-23)21(24)30-18)14-6-7-16(28-4)17(11-14)29-5/h6-7,10-11,19H,8-9,24H2,1-5H3/p+1/t19-/m0/s1