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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-piperidin-1-ium-1-yl-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-piperidin-1-ium-1-yl-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1-piperidin-1-iumyl)butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-piperidin-1-ium-1-ylbutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-piperidin-1-ium-1-yl-butyronitrile Formula: C16H19N4O+ MolecularWeight: 283.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C16H18N4O/c17-10-12(15(21)11-20-8-4-1-5-9-20)16-18-13-6-2-3-7-14(13)19-16/h2-3,6-7,18-19H,1,4-5,8-9,11H2/p+1