3-[5-(4-aminophenyl)-1H-imidazol-3-ium-3-yl]propanoate

Systemtic Name: 3-[5-(4-aminophenyl)-1H-imidazol-3-ium-3-yl]propanoate Openeye Name: 3-[5-(4-aminophenyl)-1H-imidazol-3-ium-3-yl]propanoate CAS Name: 3-[5-(4-aminophenyl)-1H-imidazol-3-ium-3-yl]propanoate IUPAC Name: 3-[5-(4-aminophenyl)-1H-imidazol-3-ium-3-yl]propanoate Traditional Name: 3-[5-(4-aminophenyl)-1H-imidazol-3-ium-3-yl]propionate Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C[N+](=CN2)CCC(=O)[O-])N

Isomeric SMILES

C1=CC(=CC=C1C2=C[N+](=CN2)CCC(=O)[O-])N

InChI

InChI=1S/C12H13N3O2/c13-10-3-1-9(2-4-10)11-7-15(8-14-11)6-5-12(16)17/h1-4,7-8H,5-6,13H2,(H,16,17)