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

Systemtic Name: 2-azanyl-4,6-dimethyl-5-[(4-propan-2-yloxyphenyl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(4-isopropoxyphenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-4,6-dimethyl-5-[(4-propan-2-yloxyphenyl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-4,6-dimethyl-5-[(4-propan-2-yloxyphenyl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(4-isopropoxybenzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C22H21N4O+ MolecularWeight: 357.42834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H20N4O/c1-12(2)27-16-7-5-15(6-8-16)9-17-13(3)18(10-23)21-20(17)14(4)19(11-24)22(25)26-21/h5-9,12H,1-4H3,(H2,25,26)/p+1