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

Systemtic Name: ethyl 2-[2-azanyl-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate chloride Openeye Name: ethyl 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]acetate chloride CAS Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]-1-benzimidazol-3-iumyl]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]acetate chloride Traditional Name: 2-[2-amino-3-(4-tert-butylbenzyl)benzimidazol-3-ium-1-yl]acetic acid ethyl ester chloride Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2.ClH/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;1H