ethyl 2-[2-azanyl-3-(2,4,6-trimethylphenyl)benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-(2,4,6-trimethylphenyl)benzimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-(2,4,6-trimethylphenyl)benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-(2,4,6-trimethylphenyl)-1-benzimidazol-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-(2,4,6-trimethylphenyl)benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-(2-amino-3-mesityl-benzimidazol-1-ium-1-yl)acetic acid ethyl ester Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)C3=C(C=C(C=C3C)C)C)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)C3=C(C=C(C=C3C)C)C)N

InChI

InChI=1S/C20H23N3O2/c1-5-25-18(24)12-22-16-8-6-7-9-17(16)23(20(22)21)19-14(3)10-13(2)11-15(19)4/h6-11,21H,5,12H2,1-4H3/p+1