2-azanyl-5-(1,3-benzodioxol-5-ylmethylidene)-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile

Systemtic Name: 2-azanyl-5-(1,3-benzodioxol-5-ylmethylidene)-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-(1,3-benzodioxol-5-ylmethylene)-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-(1,3-benzodioxol-5-ylmethylidene)-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-(1,3-benzodioxol-5-ylmethylidene)-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-4,6-dimethyl-5-piperonylidene-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C20H15N4O2+ MolecularWeight: 343.3587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC4=C(C=C3)OCO4)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CC4=C(C=C3)OCO4)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C20H14N4O2/c1-10-13(5-12-3-4-16-17(6-12)26-9-25-16)18-11(2)15(8-22)20(23)24-19(18)14(10)7-21/h3-6H,9H2,1-2H3,(H2,23,24)/p+1