2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-methoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-indolin-1-ium-1-yl]propionic acid Formula: C17H22N3O3+ MolecularWeight: 316.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1(CCC2=C1C=CC(=C2)OC)CCN3C=CN=C3

Isomeric SMILES

CC(C(=O)O)[N+]1(CCC2=C1C=CC(=C2)OC)CCN3C=CN=C3

InChI

InChI=1S/C17H21N3O3/c1-13(17(21)22)20(10-8-19-7-6-18-12-19)9-5-14-11-15(23-2)3-4-16(14)20/h3-4,6-7,11-13H,5,8-10H2,1-2H3/p+1