2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-keto-butyronitrile Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)C

InChI

InChI=1S/C20H26N4O/c1-14-9-15(2)12-24(11-14)13-19(25)16(10-21)20-22(3)17-7-5-6-8-18(17)23(20)4/h5-8,14-15H,9,11-13H2,1-4H3/p+1/t14-,15-/m1/s1