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

Systemtic Name: ethyl 3-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(cyclohexylcarbamoylamino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(cyclohexylcarbamoylamino)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C22H31N4O4+ MolecularWeight: 415.50594

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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)NC3CCCCC3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC(=O)NC3CCCCC3)C

InChI

InChI=1S/C22H30N4O4/c1-4-25-15(3)26(19-13-16(11-12-18(19)25)21(28)30-5-2)14-20(27)24-22(29)23-17-9-7-6-8-10-17/h11-13,17H,4-10,14H2,1-3H3,(H-,23,24,27,29)/p+1