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

Systemtic Name: 2-[2-azanyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanamide chloride Openeye Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetamide chloride CAS Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]-1-benzimidazol-1-iumyl]acetamide chloride IUPAC Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetamide chloride Traditional Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetamide chloride Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)CC(=O)N.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCN2C3=CC=CC=C3[N+](=C2N)CC(=O)N.[Cl-]

InChI

InChI=1S/C21H26N4O2.ClH/c1-21(2,3)15-8-10-16(11-9-15)27-13-12-24-17-6-4-5-7-18(17)25(20(24)23)14-19(22)26;/h4-11,23H,12-14H2,1-3H3,(H2,22,26);1H