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

Systemtic Name: ethyl 3-[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(cyclopentylcarbamoylamino)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H29N4O4+ MolecularWeight: 401.47936

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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)NC3CCCC3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC(=O)NC3CCCC3)C

InChI

InChI=1S/C21H28N4O4/c1-4-24-14(3)25(13-19(26)23-21(28)22-16-8-6-7-9-16)18-12-15(10-11-17(18)24)20(27)29-5-2/h10-12,16H,4-9,13H2,1-3H3,(H-,22,23,26,28)/p+1