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

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]pentanenitrile Openeye Name: (4R)-4-(4-benzylpiperidin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-pentanenitrile CAS Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[4-(phenylmethyl)-1-piperidin-1-iumyl]pentanenitrile IUPAC Name: (4R)-4-(4-benzylpiperidin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopentanenitrile Traditional Name: (4R)-4-(4-benzylpiperidin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-valeronitrile Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O/c1-17(28-13-11-19(12-14-28)15-18-7-3-2-4-8-18)23(29)20(16-25)24-26-21-9-5-6-10-22(21)27-24/h2-10,17,19,26-27H,11-15H2,1H3/p+1/t17-/m1/s1