methyl 4-(3-azanylimidazol-1-ium-1-yl)benzoate

Systemtic Name: methyl 4-(3-azanylimidazol-1-ium-1-yl)benzoate Openeye Name: methyl 4-(3-aminoimidazol-1-ium-1-yl)benzoate CAS Name: 4-(3-amino-1-imidazol-1-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-aminoimidazol-1-ium-1-yl)benzoate Traditional Name: 4-(3-aminoimidazol-1-ium-1-yl)benzoic acid methyl ester Formula: C11H12N3O2+ MolecularWeight: 218.23188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)[N+]2=CN(C=C2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[N+]2=CN(C=C2)N

InChI

InChI=1S/C11H12N3O2/c1-16-11(15)9-2-4-10(5-3-9)13-6-7-14(12)8-13/h2-8H,12H2,1H3/q+1