(2E)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-4-[(3R,5R)-3,5-dimethylpiperidin-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:

CC1CC(C[NH+](C1)CC(=O)C(=C2NC3=CC=CC=C3N2C)C#N)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N)C

InChI

InChI=1S/C19H24N4O/c1-13-8-14(2)11-23(10-13)12-18(24)15(9-20)19-21-16-6-4-5-7-17(16)22(19)3/h4-7,13-14,21H,8,10-12H2,1-3H3/p+1/b19-15+/t13-,14-/m1/s1