2-azanyl-5-[(3-chloranyl-4-propan-2-yloxy-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile

Systemtic Name: 2-azanyl-5-[(3-chloranyl-4-propan-2-yloxy-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(3-chloro-4-isopropoxy-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(3-chloro-4-isopropoxy-benzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C22H20ClN4O+ MolecularWeight: 391.8734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O/c1-11(2)28-19-6-5-14(8-18(19)23)7-15-12(3)16(9-24)21-20(15)13(4)17(10-25)22(26)27-21/h5-8,11H,1-4H3,(H2,26,27)/p+1