ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C25H32N3O3+ MolecularWeight: 422.53988

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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(C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)N[C@H](C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C25H31N3O3/c1-5-27-19(4)28(23-16-21(14-15-22(23)27)25(30)31-6-2)17-24(29)26-18(3)12-13-20-10-8-7-9-11-20/h7-11,14-16,18H,5-6,12-13,17H2,1-4H3/p+1/t18-/m1/s1