(5E)-2-azanyl-5-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile

Systemtic Name: (5E)-2-azanyl-5-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: (5E)-5-[(4-allyloxy-3-iodo-5-methoxy-phenyl)methylene]-2-amino-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: (5E)-2-amino-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: (5E)-2-amino-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: (5E)-5-(4-allyloxy-3-iodo-5-methoxy-benzylidene)-2-amino-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C23H20IN4O2+ MolecularWeight: 511.33497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC(=C(C(=C3)I)OCC=C)OC)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC(=C(C(=C3)I)OCC=C)OC)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C23H19IN4O2/c1-5-6-30-22-18(24)8-14(9-19(22)29-4)7-15-12(2)16(10-25)21-20(15)13(3)17(11-26)23(27)28-21/h5,7-9H,1,6H2,2-4H3,(H2,27,28)/p+1/b15-7+