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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(2-methylphenoxy)acetamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(2-methylphenoxy)acetamide Formula: C27H37N4O2+ MolecularWeight: 449.60828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3C)N=C1C[NH+]4CCCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=CC=C3C)N=C1C[NH+]4CCCCCC4

InChI

InChI=1S/C27H36N4O2/c1-3-4-17-31-24-14-13-22(28-27(32)20-33-25-12-8-7-11-21(25)2)18-23(24)29-26(31)19-30-15-9-5-6-10-16-30/h7-8,11-14,18H,3-6,9-10,15-17,19-20H2,1-2H3,(H,28,32)/p+1