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

Systemtic Name: 4-(azepan-1-ium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(azepan-1-ium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(1-azepan-1-iumyl)-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-(azepan-1-ium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(azepan-1-ium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C19H25N4O+ MolecularWeight: 325.428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCCCCC3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCCCCC3)C

InChI

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