3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1-hexyl-1-oxidanidyl-2H-benzimidazol-1-ium

Systemtic Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1-hexyl-1-oxidanidyl-2H-benzimidazol-1-ium Openeye Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1-hexyl-1-oxido-2H-benzimidazol-1-ium CAS Name: 3-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-1-hexyl-1-oxido-2H-benzimidazol-1-ium IUPAC Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1-hexyl-1-oxido-2H-benzimidazol-1-ium Traditional Name: 3-[4-[4-(3-chlorophenyl)piperazino]butyl]-1-hexyl-1-oxido-2H-benzimidazol-1-ium Formula: C27H39ClN4O MolecularWeight: 471.07776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CN(C2=CC=CC=C21)CCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)[O-]

Isomeric SMILES

CCCCCC[N+]1(CN(C2=CC=CC=C21)CCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)[O-]

InChI

InChI=1S/C27H39ClN4O/c1-2-3-4-9-21-32(33)23-31(26-13-5-6-14-27(26)32)16-8-7-15-29-17-19-30(20-18-29)25-12-10-11-24(28)22-25/h5-6,10-14,22H,2-4,7-9,15-21,23H2,1H3