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

Systemtic Name: [3-[2-(1H-imidazol-3-ium-3-yl)ethanoylamino]phenyl]methylazanium Openeye Name: [3-[[2-(1H-imidazol-3-ium-3-yl)acetyl]amino]phenyl]methylammonium CAS Name: [3-[[2-(1H-imidazol-3-ium-3-yl)-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [3-[[2-(1H-imidazol-3-ium-3-yl)acetyl]amino]phenyl]methylazanium Traditional Name: [3-[[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(=CC(=C1)NC(=O)C[N+]2=CNC=C2)C[NH3+]

Isomeric SMILES

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

InChI

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