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

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-pentanenitrile Openeye Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-3-oxo-pentanenitrile CAS Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-3-oxopentanenitrile IUPAC Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-3-oxopentanenitrile Traditional Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-3-keto-valeronitrile Formula: C22H24N5O2+ MolecularWeight: 390.45826

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-15(26-10-12-27(13-11-26)16-6-8-17(28)9-7-16)21(29)18(14-23)22-24-19-4-2-3-5-20(19)25-22/h2-9,15,24-25,28H,10-13H2,1H3/p+1/t15-/m1/s1