ethyl 1-ethyl-2-methyl-3-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(1R)-2-anilino-1-methyl-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(2R)-1-anilino-1-oxopropan-2-yl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2R)-1-anilino-1-oxopropan-2-yl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[(1R)-2-anilino-2-keto-1-methyl-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)C(C)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)[C@H](C)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O3/c1-5-24-16(4)25(15(3)21(26)23-18-10-8-7-9-11-18)20-14-17(12-13-19(20)24)22(27)28-6-2/h7-15H,5-6H2,1-4H3/p+1/t15-/m1/s1