2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-keto-butyronitrile Formula: C21H21FN5O+ MolecularWeight: 378.422743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN5O/c22-15-5-7-16(8-6-15)27-11-9-26(10-12-27)14-20(28)17(13-23)21-24-18-3-1-2-4-19(18)25-21/h1-8,24-25H,9-12,14H2/p+1