3-[1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]propylazanium

Systemtic Name: 3-[1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]propylazanium Openeye Name: 3-[1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]propylammonium CAS Name: 3-[1-(cyanomethyl)-5,6-dimethoxy-2-benzimidazolyl]propylammonium IUPAC Name: 3-[1-(cyanomethyl)-5,6-dimethoxybenzimidazol-2-yl]propylazanium Traditional Name: 3-[1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]propylammonium Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC#N)CCC[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC#N)CCC[NH3+])OC

InChI

InChI=1S/C14H18N4O2/c1-19-12-8-10-11(9-13(12)20-2)18(7-6-16)14(17-10)4-3-5-15/h8-9H,3-5,7,15H2,1-2H3/p+1