[5,6-dimethoxy-1-(4-phenoxybutyl)benzimidazol-2-yl]methylazanium

Systemtic Name: [5,6-dimethoxy-1-(4-phenoxybutyl)benzimidazol-2-yl]methylazanium Openeye Name: [5,6-dimethoxy-1-(4-phenoxybutyl)benzimidazol-2-yl]methylammonium CAS Name: [5,6-dimethoxy-1-(4-phenoxybutyl)-2-benzimidazolyl]methylammonium IUPAC Name: [5,6-dimethoxy-1-(4-phenoxybutyl)benzimidazol-2-yl]methylazanium Traditional Name: [5,6-dimethoxy-1-(4-phenoxybutyl)benzimidazol-2-yl]methylammonium Formula: C20H26N3O3+ MolecularWeight: 356.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CCCCOC3=CC=CC=C3)C[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CCCCOC3=CC=CC=C3)C[NH3+])OC

InChI

InChI=1S/C20H25N3O3/c1-24-18-12-16-17(13-19(18)25-2)23(20(14-21)22-16)10-6-7-11-26-15-8-4-3-5-9-15/h3-5,8-9,12-13H,6-7,10-11,14,21H2,1-2H3/p+1