[(1S)-1-[1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[1-(cyanomethyl)-5,6-dimethoxy-2-benzimidazolyl]ethyl]ammonium IUPAC Name: [(1S)-1-[1-(cyanomethyl)-5,6-dimethoxybenzimidazol-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]ethyl]ammonium Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC(=C(C=C2N1CC#N)OC)OC)[NH3+]

Isomeric SMILES

C[C@@H](C1=NC2=CC(=C(C=C2N1CC#N)OC)OC)[NH3+]

InChI

InChI=1S/C13H16N4O2/c1-8(15)13-16-9-6-11(18-2)12(19-3)7-10(9)17(13)5-4-14/h6-8H,5,15H2,1-3H3/p+1/t8-/m0/s1