[2-[2-(1H-imidazol-3-ium-3-yl)ethanoylamino]phenyl]methylazanium

Systemtic Name: [2-[2-(1H-imidazol-3-ium-3-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [2-[[2-(1H-imidazol-3-ium-3-yl)acetyl]amino]phenyl]methylammonium CAS Name: [2-[[2-(1H-imidazol-3-ium-3-yl)-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [2-[[2-(1H-imidazol-3-ium-3-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [2-[[2-(1H-imidazol-3-ium-3-yl)acetyl]amino]benzyl]ammonium Formula: C12H16N4O+2 MolecularWeight: 232.28164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH3+])NC(=O)C[N+]2=CNC=C2

Isomeric SMILES

C1=CC=C(C(=C1)C[NH3+])NC(=O)C[N+]2=CNC=C2

InChI

InChI=1S/C12H14N4O/c13-7-10-3-1-2-4-11(10)15-12(17)8-16-6-5-14-9-16/h1-6,9H,7-8,13H2,(H,15,17)/p+2