1-(4-heptylphenyl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-heptylphenyl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Openeye Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone IUPAC Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)C[N+]2=C(NC3=CC=CC=C32)NCCCO

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)C[N+]2=C(NC3=CC=CC=C32)NCCCO

InChI

InChI=1S/C25H33N3O2/c1-2-3-4-5-6-10-20-13-15-21(16-14-20)24(30)19-28-23-12-8-7-11-22(23)27-25(28)26-17-9-18-29/h7-8,11-16,29H,2-6,9-10,17-19H2,1H3,(H,26,27)/p+1