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

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-pentanenitrile Openeye Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxo-pentanenitrile CAS Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-3-oxopentanenitrile IUPAC Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxopentanenitrile Traditional Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]valeronitrile Formula: C23H26N5O2+ MolecularWeight: 404.48484

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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(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c1-16(22(29)19(15-24)23-25-20-8-3-4-9-21(20)26-23)27-10-12-28(13-11-27)17-6-5-7-18(14-17)30-2/h3-9,14,16,25-26H,10-13H2,1-2H3/p+1/t16-/m1/s1