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

Systemtic Name: (2E)-4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-4-[4-(2-furoyl)piperazin-1-ium-1-yl]-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C21H22N5O3+ MolecularWeight: 392.43108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H21N5O3/c1-24-17-6-3-2-5-16(17)23-20(24)15(13-22)18(27)14-25-8-10-26(11-9-25)21(28)19-7-4-12-29-19/h2-7,12,23H,8-11,14H2,1H3/p+1/b20-15+