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

Systemtic Name: ethyl 1-ethyl-3-[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(ethylcarbamoylamino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(ethylcarbamoylamino)-2-keto-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-5-19-18(25)20-16(23)11-22-12(4)21(6-2)14-9-8-13(10-15(14)22)17(24)26-7-3/h8-10H,5-7,11H2,1-4H3,(H-,19,20,23,25)/p+1