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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-6-(pyridin-1-ium-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(pyridin-1-ium-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(2-pyridin-1-iumylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(pyridin-1-ium-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-keto-7-methyl-6-(pyridin-1-ium-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Formula: C23H19N4O4+ MolecularWeight: 415.42136

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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)N1CC5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)N1CC5=CC=CC=[NH+]5

InChI

InChI=1S/C23H18N4O4/c1-13-8-19-21(23(28)27(13)11-15-4-2-3-7-26-15)20(16(10-24)22(25)31-19)14-5-6-17-18(9-14)30-12-29-17/h2-9,20H,11-12,25H2,1H3/p+1