[(1S)-1-[1-(cyanomethyl)-5,6-dimethyl-benzimidazol-2-yl]propyl]azanium

Systemtic Name: [(1S)-1-[1-(cyanomethyl)-5,6-dimethyl-benzimidazol-2-yl]propyl]azanium Openeye Name: [(1S)-1-[1-(cyanomethyl)-5,6-dimethyl-benzimidazol-2-yl]propyl]ammonium CAS Name: [(1S)-1-[1-(cyanomethyl)-5,6-dimethyl-2-benzimidazolyl]propyl]ammonium IUPAC Name: [(1S)-1-[1-(cyanomethyl)-5,6-dimethylbenzimidazol-2-yl]propyl]azanium Traditional Name: [(1S)-1-[1-(cyanomethyl)-5,6-dimethyl-benzimidazol-2-yl]propyl]ammonium Formula: C14H19N4+ MolecularWeight: 243.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1CC#N)C=C(C(=C2)C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=NC2=C(N1CC#N)C=C(C(=C2)C)C)[NH3+]

InChI

InChI=1S/C14H18N4/c1-4-11(16)14-17-12-7-9(2)10(3)8-13(12)18(14)6-5-15/h7-8,11H,4,6,16H2,1-3H3/p+1/t11-/m0/s1