ethyl 1-ethyl-2-methyl-3-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(2-isopropyl-6-methyl-anilino)-2-keto-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)NC3=C(C=CC=C3C(C)C)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=C(C=CC=C3C(C)C)C)C

InChI

InChI=1S/C25H31N3O3/c1-7-27-18(6)28(22-14-19(12-13-21(22)27)25(30)31-8-2)15-23(29)26-24-17(5)10-9-11-20(24)16(3)4/h9-14,16H,7-8,15H2,1-6H3/p+1