N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(2-chloranylphenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(2-chloranylphenoxy)ethanamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]-2-(2-chlorophenoxy)acetamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide Formula: C26H34ClN4O2+ MolecularWeight: 470.02676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3Cl)N=C1C[NH+]4CCCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3Cl)N=C1C[NH+]4CCCCCC4

InChI

InChI=1S/C26H33ClN4O2/c1-2-3-16-31-23-13-12-20(28-26(32)19-33-24-11-7-6-10-21(24)27)17-22(23)29-25(31)18-30-14-8-4-5-9-15-30/h6-7,10-13,17H,2-5,8-9,14-16,18-19H2,1H3,(H,28,32)/p+1