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

Systemtic Name: [1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]methylazanium Openeye Name: [1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]methylammonium CAS Name: [1-(cyanomethyl)-5,6-dimethoxy-2-benzimidazolyl]methylammonium IUPAC Name: [1-(cyanomethyl)-5,6-dimethoxybenzimidazol-2-yl]methylazanium Traditional Name: [1-(cyanomethyl)-5,6-dimethoxy-benzimidazol-2-yl]methylammonium Formula: C12H15N4O2+ MolecularWeight: 247.2731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2/c1-17-10-5-8-9(6-11(10)18-2)16(4-3-13)12(7-14)15-8/h5-6H,4,7,14H2,1-2H3/p+1