ethyl 1-ethyl-3-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(2-furfurylcarbamoylamino)-2-keto-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C21H24N4O5/c1-4-24-14(3)25(18-11-15(8-9-17(18)24)20(27)29-5-2)13-19(26)23-21(28)22-12-16-7-6-10-30-16/h6-11H,4-5,12-13H2,1-3H3,(H-,22,23,26,28)/p+1