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

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-pentanenitrile Openeye Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(o-tolyl)piperazin-1-ium-1-yl]-3-oxo-pentanenitrile CAS Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-3-oxopentanenitrile IUPAC Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-3-oxopentanenitrile Traditional Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[4-(o-tolyl)piperazin-1-ium-1-yl]valeronitrile Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C23H25N5O/c1-16-7-3-6-10-21(16)28-13-11-27(12-14-28)17(2)22(29)18(15-24)23-25-19-8-4-5-9-20(19)26-23/h3-10,17,25-26H,11-14H2,1-2H3/p+1/t17-/m1/s1