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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(isoamylcarbamoylamino)-2-keto-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H31N4O4+ MolecularWeight: 403.49524

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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)NCCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4/c1-6-24-15(5)25(13-19(26)23-21(28)22-11-10-14(3)4)18-12-16(8-9-17(18)24)20(27)29-7-2/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H-,22,23,26,28)/p+1