(2E)-4-(azocan-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-4-(azocan-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-(azocan-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-(1-azocan-1-iumyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-(azocan-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-4-(azocan-1-ium-1-yl)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C19H25N4O+ MolecularWeight: 325.428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C[NH+]3CCCCCCC3

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C19H24N4O/c1-22-17-10-6-5-9-16(17)21-19(22)15(13-20)18(24)14-23-11-7-3-2-4-8-12-23/h5-6,9-10,21H,2-4,7-8,11-12,14H2,1H3/p+1/b19-15+