2-(1,3-dimethylbenzimidazol-2-ylidene)-4-morpholin-4-ium-4-yl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-morpholin-4-ium-4-yl-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-morpholin-4-ium-4-yl-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-(4-morpholin-4-iumyl)-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-morpholin-4-ium-4-yl-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-morpholin-4-ium-4-yl-butyronitrile Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCOCC3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCOCC3)C

InChI

InChI=1S/C17H20N4O2/c1-19-14-5-3-4-6-15(14)20(2)17(19)13(11-18)16(22)12-21-7-9-23-10-8-21/h3-6H,7-10,12H2,1-2H3/p+1