ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(isopropylcarbamoylamino)-2-keto-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C19H27N4O4+ MolecularWeight: 375.44208

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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)NC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4/c1-6-22-13(5)23(11-17(24)21-19(26)20-12(3)4)16-10-14(8-9-15(16)22)18(25)27-7-2/h8-10,12H,6-7,11H2,1-5H3,(H-,20,21,24,26)/p+1