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

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-pentanenitrile Openeye Name: (4R)-4-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-pentanenitrile CAS Name: (4R)-4-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopentanenitrile IUPAC Name: (4R)-4-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopentanenitrile Traditional Name: (4R)-4-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-valeronitrile 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+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O2/c1-16(23(31)20(15-25)24-26-21-5-3-4-6-22(21)27-24)28-11-13-29(14-12-28)19-9-7-18(8-10-19)17(2)30/h3-10,16,26-27H,11-14H2,1-2H3/p+1/t16-/m1/s1