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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-phenoxy-ethanamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-phenoxy-acetamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]-2-phenoxyacetamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]-2-phenoxyacetamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-phenoxy-acetamide Formula: C26H35N4O2+ MolecularWeight: 435.5817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3)N=C1C[NH+]4CCCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3)N=C1C[NH+]4CCCCCC4

InChI

InChI=1S/C26H34N4O2/c1-2-3-17-30-24-14-13-21(27-26(31)20-32-22-11-7-6-8-12-22)18-23(24)28-25(30)19-29-15-9-4-5-10-16-29/h6-8,11-14,18H,2-5,9-10,15-17,19-20H2,1H3,(H,27,31)/p+1