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

Systemtic Name: 2-azanyl-5-[(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(3-fluoro-4-pyrrolidin-1-yl-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[[3-fluoro-4-(1-pyrrolidinyl)phenyl]methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(3-fluoro-4-pyrrolidino-benzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C23H21FN5+ MolecularWeight: 386.444743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC(=C(C=C3)N4CCCC4)F)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CC(=C(C=C3)N4CCCC4)F)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C23H20FN5/c1-13-16(9-15-5-6-20(19(24)10-15)29-7-3-4-8-29)21-14(2)18(12-26)23(27)28-22(21)17(13)11-25/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,27,28)/p+1