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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-[[(1S)-1-methylbutyl]amino]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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-6-9-14(4)21-19(24)13-23-15(5)22(7-2)17-11-10-16(12-18(17)23)20(25)26-8-3/h10-12,14H,6-9,13H2,1-5H3/p+1/t14-/m0/s1