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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-octoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-octoxy-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-octoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-octoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-5-octoxy-indolin-1-ium-1-yl]propionic acid Formula: C24H36N3O3+ MolecularWeight: 414.56094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)C(C)C(=O)O

InChI

InChI=1S/C24H35N3O3/c1-3-4-5-6-7-8-17-30-22-9-10-23-21(18-22)11-15-27(23,20(2)24(28)29)16-14-26-13-12-25-19-26/h9-10,12-13,18-20H,3-8,11,14-17H2,1-2H3/p+1