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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(benzylamino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-[(phenylmethyl)amino]ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(benzylamino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(benzylamino)-2-keto-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)CC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-4-24-16(3)25(15-21(26)23-14-17-9-7-6-8-10-17)20-13-18(11-12-19(20)24)22(27)28-5-2/h6-13H,4-5,14-15H2,1-3H3/p+1