1-[3-(1-aminocarbonylimidazol-1-ium-1-yl)-4-methyl-phenyl]imidazol-1-ium-1-carboxamide

Systemtic Name: 1-[3-(1-aminocarbonylimidazol-1-ium-1-yl)-4-methyl-phenyl]imidazol-1-ium-1-carboxamide Openeye Name: 1-[3-(1-carbamoylimidazol-1-ium-1-yl)-4-methyl-phenyl]imidazol-1-ium-1-carboxamide CAS Name: 1-[3-(1-carbamoyl-1-imidazol-1-iumyl)-4-methylphenyl]-1-imidazol-1-iumcarboxamide IUPAC Name: 1-[3-(1-carbamoylimidazol-1-ium-1-yl)-4-methylphenyl]imidazol-1-ium-1-carboxamide Traditional Name: 1-[3-(1-carbamoylimidazol-1-ium-1-yl)-4-methyl-phenyl]imidazol-1-ium-1-carboxamide Formula: C15H16N6O2+2 MolecularWeight: 312.32654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+]2(C=CN=C2)C(=O)N)[N+]3(C=CN=C3)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+]2(C=CN=C2)C(=O)N)[N+]3(C=CN=C3)C(=O)N

InChI

InChI=1S/C15H14N6O2/c1-11-2-3-12(20(14(16)22)6-4-18-9-20)8-13(11)21(15(17)23)7-5-19-10-21/h2-10H,1H3,(H2-2,16,17,22,23)/p+2