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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyronitrile Formula: C20H19N4O+ MolecularWeight: 331.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C20H18N4O/c21-11-16(20-22-17-7-3-4-8-18(17)23-20)19(25)13-24-10-9-14-5-1-2-6-15(14)12-24/h1-8,22-23H,9-10,12-13H2/p+1