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

Systemtic Name: (2E)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-3-keto-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C23H26N5O2+ MolecularWeight: 404.48484

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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=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c1-26-21-9-4-3-8-20(21)25-23(26)19(15-24)22(29)16-27-10-12-28(13-11-27)17-6-5-7-18(14-17)30-2/h3-9,14,25H,10-13,16H2,1-2H3/p+1/b23-19+