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

Systemtic Name: 2-azanyl-4,6-dimethyl-5-[[4-(2-methylpropoxy)phenyl]methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(4-isobutoxyphenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: 2-amino-4,6-dimethyl-5-[[4-(2-methylpropoxy)phenyl]methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: 2-amino-4,6-dimethyl-5-[[4-(2-methylpropoxy)phenyl]methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: 2-amino-5-(4-isobutoxybenzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C23H23N4O+ MolecularWeight: 371.45492

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H22N4O/c1-13(2)12-28-17-7-5-16(6-8-17)9-18-14(3)19(10-24)22-21(18)15(4)20(11-25)23(26)27-22/h5-9,13H,12H2,1-4H3,(H2,26,27)/p+1