[(1S)-1-[1-[(2-cyanophenyl)methyl]-5,6-dimethoxy-benzimidazol-2-yl]butyl]azanium

Systemtic Name: [(1S)-1-[1-[(2-cyanophenyl)methyl]-5,6-dimethoxy-benzimidazol-2-yl]butyl]azanium Openeye Name: [(1S)-1-[1-[(2-cyanophenyl)methyl]-5,6-dimethoxy-benzimidazol-2-yl]butyl]ammonium CAS Name: [(1S)-1-[1-[(2-cyanophenyl)methyl]-5,6-dimethoxy-2-benzimidazolyl]butyl]ammonium IUPAC Name: [(1S)-1-[1-[(2-cyanophenyl)methyl]-5,6-dimethoxybenzimidazol-2-yl]butyl]azanium Traditional Name: [(1S)-1-[1-(2-cyanobenzyl)-5,6-dimethoxy-benzimidazol-2-yl]butyl]ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3C#N)OC)OC)[NH3+]

Isomeric SMILES

CCC[C@@H](C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3C#N)OC)OC)[NH3+]

InChI

InChI=1S/C21H24N4O2/c1-4-7-16(23)21-24-17-10-19(26-2)20(27-3)11-18(17)25(21)13-15-9-6-5-8-14(15)12-22/h5-6,8-11,16H,4,7,13,23H2,1-3H3/p+1/t16-/m0/s1