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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]pentanamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]pentanamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]pentanamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]pentanamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]valeramide Formula: C23H37N4O+ MolecularWeight: 385.56608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)C[NH+]3CCCCCC3)CCCC

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)C[NH+]3CCCCCC3)CCCC

InChI

InChI=1S/C23H36N4O/c1-3-5-11-23(28)24-19-12-13-21-20(17-19)25-22(27(21)16-6-4-2)18-26-14-9-7-8-10-15-26/h12-13,17H,3-11,14-16,18H2,1-2H3,(H,24,28)/p+1