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

Systemtic Name: 2-[(4R)-2-azanyl-4-(3-bromophenyl)-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4R)-2-amino-4-(3-bromophenyl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4R)-2-amino-4-(3-bromophenyl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylammonium IUPAC Name: 2-[(4R)-2-amino-4-(3-bromophenyl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium Traditional Name: 2-[(4R)-2-amino-4-(3-bromophenyl)-3-cyano-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium Formula: C20H22BrN4O2+ MolecularWeight: 430.31828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O2/c1-12-9-16-18(20(26)25(12)8-7-24(2)3)17(15(11-22)19(23)27-16)13-5-4-6-14(21)10-13/h4-6,9-10,17H,7-8,23H2,1-3H3/p+1/t17-/m1/s1