[4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]azanium

Systemtic Name: [4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]azanium Openeye Name: [4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]ammonium CAS Name: [4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]ammonium IUPAC Name: [4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]azanium Traditional Name: [4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]ammonium Formula: C12H15N3O2+2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C[N+](=CN2)CCC(=O)O)[NH3+]

Isomeric SMILES

C1=CC(=CC=C1C2=C[N+](=CN2)CCC(=O)O)[NH3+]

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)/p+2