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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-piperidin-1-ium-1-yl-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-piperidin-1-ium-1-yl-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-(1-piperidin-1-iumyl)butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-piperidin-1-ium-1-ylbutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-piperidin-1-ium-1-yl-butyronitrile Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCCCC3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C18H22N4O/c1-20-15-8-4-5-9-16(15)21(2)18(20)14(12-19)17(23)13-22-10-6-3-7-11-22/h4-5,8-9H,3,6-7,10-11,13H2,1-2H3/p+1