1-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propyl]-3-methyl-benzimidazol-3-ium

Systemtic Name: 1-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propyl]-3-methyl-benzimidazol-3-ium Openeye Name: 1-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propyl]-3-methyl-benzimidazol-3-ium CAS Name: 1-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propyl]-3-methylbenzimidazol-3-ium IUPAC Name: 1-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propyl]-3-methylbenzimidazol-3-ium Traditional Name: 1-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propyl]-3-methyl-benzimidazol-3-ium Formula: C17H26N4+2 MolecularWeight: 286.41514

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CCC[N+]34CCN(CC3)CC4

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CCC[N+]34CCN(CC3)CC4

InChI

InChI=1S/C17H26N4/c1-18-15-20(17-6-3-2-5-16(17)18)7-4-11-21-12-8-19(9-13-21)10-14-21/h2-3,5-6,15H,4,7-14H2,1H3/q+2