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

Systemtic Name: 3-[(4R)-2-azanyl-4-(1,3-benzodioxol-5-yl)-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-azanium Openeye Name: 3-[(4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium CAS Name: 3-[(4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylammonium IUPAC Name: 3-[(4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylazanium Traditional Name: 3-[(4R)-2-amino-4-(1,3-benzodioxol-5-yl)-3-cyano-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=CC2=C(C1=O)C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC[NH+](CC)CCCN1C(=CC2=C(C1=O)[C@@H](C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H28N4O4/c1-4-27(5-2)9-6-10-28-15(3)11-20-22(24(28)29)21(17(13-25)23(26)32-20)16-7-8-18-19(12-16)31-14-30-18/h7-8,11-12,21H,4-6,9-10,14,26H2,1-3H3/p+1/t21-/m1/s1