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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]ethanoate Openeye Name: 2-[1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]acetate CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-ium-1-yl]acetate IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]acetate Traditional Name: 2-[1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]acetate Formula: C15H17N3O2 MolecularWeight: 271.31438

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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