2-[(4R)-2-azanyl-4-(1,3-benzodioxol-5-yl)-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4R)-2-azanyl-4-(1,3-benzodioxol-5-yl)-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylammonium IUPAC Name: 2-[(4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium Traditional Name: 2-[(4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)N1CC[NH+](C)C

Isomeric SMILES

CC1=CC2=C([C@@H](C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)N1CC[NH+](C)C

InChI

InChI=1S/C21H22N4O4/c1-12-8-17-19(21(26)25(12)7-6-24(2)3)18(14(10-22)20(23)29-17)13-4-5-15-16(9-13)28-11-27-15/h4-5,8-9,18H,6-7,11,23H2,1-3H3/p+1/t18-/m1/s1