butyl 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylate

Systemtic Name: butyl 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylate Openeye Name: butyl 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylate CAS Name: 3-ethyl-2-methyl-1-phenyl-5-benzimidazol-3-iumcarboxylic acid butyl ester IUPAC Name: butyl 3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium-5-carboxylate Traditional Name: 3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-carboxylic acid butyl ester Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N(C(=[N+]2CC)C)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N(C(=[N+]2CC)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N2O2/c1-4-6-14-25-21(24)17-12-13-19-20(15-17)22(5-2)16(3)23(19)18-10-8-7-9-11-18/h7-13,15H,4-6,14H2,1-3H3/q+1