2-[4-[4-(benzimidazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[4-(benzimidazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[[4-(1-benzimidazolyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-ium-1-yl]-N-butyl-acetamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C24H29N5O2/c1-2-3-12-25-23(30)17-27-13-15-28(16-14-27)24(31)19-8-10-20(11-9-19)29-18-26-21-6-4-5-7-22(21)29/h4-11,18H,2-3,12-17H2,1H3,(H,25,30)/p+1