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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(1-ethylpropylamino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-(pentan-3-ylamino)ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(pentan-3-ylamino)ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(1-ethylpropylamino)-2-keto-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-6-16(7-2)21-19(24)13-23-14(5)22(8-3)17-11-10-15(12-18(17)23)20(25)26-9-4/h10-12,16H,6-9,13H2,1-5H3/p+1