2-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile CAS Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(3-pyridin-1-iumylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-7-methyl-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Formula: C23H18BrN4O4+ MolecularWeight: 494.31742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4)C(=O)N1CC5=C[NH+]=CC=C5

Isomeric SMILES

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4)C(=O)N1CC5=C[NH+]=CC=C5

InChI

InChI=1S/C23H17BrN4O4/c1-12-5-19-21(23(29)28(12)10-13-3-2-4-27-9-13)20(15(8-25)22(26)32-19)14-6-17-18(7-16(14)24)31-11-30-17/h2-7,9,20H,10-11,26H2,1H3/p+1