2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butanenitrile Openeye Name: 4-(4-benzylpiperidin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[4-(phenylmethyl)-1-piperidin-1-iumyl]butanenitrile IUPAC Name: 4-(4-benzylpiperidin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(4-benzylpiperidin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C23H24N4O/c24-15-19(23-25-20-8-4-5-9-21(20)26-23)22(28)16-27-12-10-18(11-13-27)14-17-6-2-1-3-7-17/h1-9,18,25-26H,10-14,16H2/p+1