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

Systemtic Name: 2-azanyl-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylene]-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C21H17N4O3+ MolecularWeight: 373.38468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC4=C(C=C3OC)OCO4)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CC4=C(C=C3OC)OCO4)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C21H16N4O3/c1-10-13(4-12-5-17-18(28-9-27-17)6-16(12)26-3)19-11(2)15(8-23)21(24)25-20(19)14(10)7-22/h4-6H,9H2,1-3H3,(H2,24,25)/p+1