ethyl 4-[[1-ethyl-5-(furan-2-ylcarbonylamino)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[1-ethyl-5-(furan-2-ylcarbonylamino)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[1-ethyl-5-(furan-2-carbonylamino)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[1-ethyl-5-[[2-furanyl(oxo)methyl]amino]-2-benzimidazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-ethyl-5-(furan-2-carbonylamino)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[1-ethyl-5-(2-furoylamino)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)N=C1C[NH+]4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)N=C1C[NH+]4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C22H27N5O4/c1-3-27-18-8-7-16(23-21(28)19-6-5-13-31-19)14-17(18)24-20(27)15-25-9-11-26(12-10-25)22(29)30-4-2/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,28)/p+1