1-[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O2/c1-16(22(30)19(15-25)23-27-20-9-5-6-10-21(20)28-23)29-13-11-17(12-14-29)24(31)26-18-7-3-2-4-8-18/h2-10,16-17,27-28H,11-14H2,1H3,(H,26,31)/p+1/t16-/m1/s1