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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methyl-1-piperidin-1-iumyl)-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(4-methylpiperidin-1-ium-1-yl)butyronitrile Formula: C17H21N4O+ MolecularWeight: 297.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C17H20N4O/c1-12-6-8-21(9-7-12)11-16(22)13(10-18)17-19-14-4-2-3-5-15(14)20-17/h2-5,12,19-20H,6-9,11H2,1H3/p+1