2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyronitrile Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C22H22N4O/c1-24-19-9-5-6-10-20(19)25(2)22(24)18(13-23)21(27)15-26-12-11-16-7-3-4-8-17(16)14-26/h3-10H,11-12,14-15H2,1-2H3/p+1