2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methyl-1-piperazine-1,4-diiumyl)-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperazine-1,4-diium-1-yl)-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(4-methylpiperazine-1,4-diium-1-yl)butyronitrile Formula: C16H21N5O+2 MolecularWeight: 299.37084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C16H19N5O/c1-20-6-8-21(9-7-20)11-15(22)12(10-17)16-18-13-4-2-3-5-14(13)19-16/h2-5,18-19H,6-9,11H2,1H3/p+2