(2E)-4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C22H23N5O2/c1-25-18-7-3-2-6-17(18)24-22(25)16(14-23)21(29)15-26-10-12-27(13-11-26)19-8-4-5-9-20(19)28/h2-9,24,28H,10-13,15H2,1H3/p+1/b22-16+