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

Systemtic Name: 2-azanyl-5-[(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(3-bromo-4-isopropoxy-5-methoxy-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-5-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(3-bromo-4-isopropoxy-5-methoxy-benzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C23H22BrN4O2+ MolecularWeight: 466.35038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN4O2/c1-11(2)30-22-18(24)7-14(8-19(22)29-5)6-15-12(3)16(9-25)21-20(15)13(4)17(10-26)23(27)28-21/h6-8,11H,1-5H3,(H2,27,28)/p+1