2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-3-keto-butyronitrile Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)C

InChI

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