2-[(4S)-2-azanyl-3-cyano-4-(3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylammonium IUPAC Name: 2-[(4S)-2-amino-3-cyano-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium Traditional Name: 2-[(4S)-2-amino-3-cyano-5-keto-4-(3-methoxyphenyl)-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-13-10-17-19(21(26)25(13)9-8-24(2)3)18(16(12-22)20(23)28-17)14-6-5-7-15(11-14)27-4/h5-7,10-11,18H,8-9,23H2,1-4H3/p+1/t18-/m0/s1