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

Systemtic Name: 2-[2-azanyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanamide Openeye Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetamide CAS Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]-1-benzimidazol-1-iumyl]acetamide IUPAC Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetamide Traditional Name: 2-[2-amino-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/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)/p+1