ethyl 1-ethyl-3-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(p-anisylamino)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H27N3O4/c1-5-25-16(3)26(21-13-18(9-12-20(21)25)23(28)30-6-2)15-22(27)24-14-17-7-10-19(29-4)11-8-17/h7-13H,5-6,14-15H2,1-4H3/p+1