3-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]propylazanium

Systemtic Name: 3-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]propylazanium Openeye Name: 3-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]propylammonium CAS Name: 3-[5,6-dimethyl-1-(4-phenoxybutyl)-2-benzimidazolyl]propylammonium IUPAC Name: 3-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]propylazanium Traditional Name: 3-[5,6-dimethyl-1-(4-phenoxybutyl)benzimidazol-2-yl]propylammonium Formula: C22H30N3O+ MolecularWeight: 352.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CCC[NH3+])CCCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCC[NH3+])CCCCOC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-17-15-20-21(16-18(17)2)25(22(24-20)11-8-12-23)13-6-7-14-26-19-9-4-3-5-10-19/h3-5,9-10,15-16H,6-8,11-14,23H2,1-2H3/p+1