ethyl 2-[2-azanyl-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]-1-benzimidazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(4-tert-butylbenzyl)benzimidazol-3-ium-1-yl]acetic acid ethyl ester Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H27N3O2/c1-5-27-20(26)15-25-19-9-7-6-8-18(19)24(21(25)23)14-16-10-12-17(13-11-16)22(2,3)4/h6-13,23H,5,14-15H2,1-4H3/p+1