2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3-keto-butyronitrile Formula: C22H23N4O3+ MolecularWeight: 391.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N)OC

InChI

InChI=1S/C22H22N4O3/c1-28-20-9-14-7-8-26(12-15(14)10-21(20)29-2)13-19(27)16(11-23)22-24-17-5-3-4-6-18(17)25-22/h3-6,9-10,24-25H,7-8,12-13H2,1-2H3/p+1