ethyl 1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-(2-phenoxyethyl)-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-2-methyl-3-(2-phenoxyethyl)benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOC3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C21H25N2O3/c1-4-22-16(3)23(13-14-26-18-9-7-6-8-10-18)20-15-17(11-12-19(20)22)21(24)25-5-2/h6-12,15H,4-5,13-14H2,1-3H3/q+1