2-azanyl-N-[1-(1-phenylcyclooctyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-yl]ethanamide

Systemtic Name: 2-azanyl-N-[1-(1-phenylcyclooctyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-yl]ethanamide Openeye Name: 2-amino-N-[1-(1-phenylcyclooctyl)-1-(4-piperidyl)benzimidazol-1-ium-2-yl]acetamide CAS Name: 2-amino-N-[1-(1-phenylcyclooctyl)-1-(4-piperidinyl)-2-benzimidazol-1-iumyl]acetamide IUPAC Name: 2-amino-N-[1-(1-phenylcyclooctyl)-1-piperidin-4-ylbenzimidazol-1-ium-2-yl]acetamide Traditional Name: 2-amino-N-[1-(1-phenylcyclooctyl)-1-(4-piperidyl)benzimidazol-1-ium-2-yl]acetamide Formula: C28H38N5O+ MolecularWeight: 460.63422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)(C2=CC=CC=C2)[N+]3(C4=CC=CC=C4N=C3NC(=O)CN)C5CCNCC5

Isomeric SMILES

C1CCCC(CCC1)(C2=CC=CC=C2)[N+]3(C4=CC=CC=C4N=C3NC(=O)CN)C5CCNCC5

InChI

InChI=1S/C28H37N5O/c29-21-26(34)32-27-31-24-13-7-8-14-25(24)33(27,23-15-19-30-20-16-23)28(22-11-5-4-6-12-22)17-9-2-1-3-10-18-28/h4-8,11-14,23,30H,1-3,9-10,15-21,29H2/p+1