2-azanyl-4-(1,3-benzodioxol-5-yl)-6-methoxy-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-methoxy-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxy-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methoxy-pyridin-1-ium-3,5-dicarbonitrile Formula: C15H11N4O3+ MolecularWeight: 295.27284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

COC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C15H10N4O3/c1-20-15-10(6-17)13(9(5-16)14(18)19-15)8-2-3-11-12(4-8)22-7-21-11/h2-4H,7H2,1H3,(H2,18,19)/p+1