2-[1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]acetic acid Formula: C15H18N3O2+ MolecularWeight: 272.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C2=CC=CC=C21)(CCN3C=CN=C3)CC(=O)O

Isomeric SMILES

C1C[N+](C2=CC=CC=C21)(CCN3C=CN=C3)CC(=O)O

InChI

InChI=1S/C15H17N3O2/c19-15(20)11-18(10-8-17-7-6-16-12-17)9-5-13-3-1-2-4-14(13)18/h1-4,6-7,12H,5,8-11H2/p+1