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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]propionic acid Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1(CCC2=CC=CC=C21)CCN3C=CN=C3

Isomeric SMILES

CC(C(=O)O)[N+]1(CCC2=CC=CC=C21)CCN3C=CN=C3

InChI

InChI=1S/C16H19N3O2/c1-13(16(20)21)19(11-9-18-8-7-17-12-18)10-6-14-4-2-3-5-15(14)19/h2-5,7-8,12-13H,6,9-11H2,1H3/p+1