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

Systemtic Name: 2-[2-azanyl-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanamide chloride Openeye Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]acetamide chloride CAS Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]-1-benzimidazol-3-iumyl]acetamide chloride IUPAC Name: 2-[2-amino-3-[(4-tert-butylphenyl)methyl]benzimidazol-3-ium-1-yl]acetamide chloride Traditional Name: 2-[2-amino-3-(4-tert-butylbenzyl)benzimidazol-3-ium-1-yl]acetamide chloride Formula: C20H25ClN4O MolecularWeight: 372.8917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)N)N.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)N)N.[Cl-]

InChI

InChI=1S/C20H24N4O.ClH/c1-20(2,3)15-10-8-14(9-11-15)12-23-16-6-4-5-7-17(16)24(19(23)22)13-18(21)25;/h4-11,22H,12-13H2,1-3H3,(H2,21,25);1H