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

Systemtic Name: 2-azanyl-4-(5-bromanyl-2-methoxy-phenyl)-7-methyl-5-oxidanylidene-6-(pyridin-1-ium-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-methoxy-phenyl)-7-methyl-5-oxo-6-(pyridin-1-ium-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-methoxyphenyl)-7-methyl-5-oxo-6-(2-pyridin-1-iumylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromo-2-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-1-ium-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-methoxy-phenyl)-5-keto-7-methyl-6-(pyridin-1-ium-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Formula: C23H20BrN4O3+ MolecularWeight: 480.3339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OC)C(=O)N1CC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OC)C(=O)N1CC4=CC=CC=[NH+]4

InChI

InChI=1S/C23H19BrN4O3/c1-13-9-19-21(23(29)28(13)12-15-5-3-4-8-27-15)20(17(11-25)22(26)31-19)16-10-14(24)6-7-18(16)30-2/h3-10,20H,12,26H2,1-2H3/p+1