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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(propylcarbamoylamino)ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(propylcarbamoylamino)ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(propylcarbamoylamino)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:

CCCNC(=O)NC(=O)CN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C

Isomeric SMILES

CCCNC(=O)NC(=O)CN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C

InChI

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