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

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]pentanenitrile Openeye Name: (4R)-4-(4-benzoylpiperazin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-pentanenitrile CAS Name: (4R)-4-(4-benzoyl-1-piperazin-1-iumyl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopentanenitrile IUPAC Name: (4R)-4-(4-benzoylpiperazin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopentanenitrile Traditional Name: (4R)-4-(4-benzoylpiperazin-1-ium-1-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-valeronitrile Formula: C23H24N5O2+ MolecularWeight: 402.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2/c1-16(21(29)18(15-24)22-25-19-9-5-6-10-20(19)26-22)27-11-13-28(14-12-27)23(30)17-7-3-2-4-8-17/h2-10,16,25-26H,11-14H2,1H3/p+1/t16-/m1/s1