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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-octyl-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-octyl-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-octyl-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-octyl-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-5-octyl-indolin-1-ium-1-yl]propionic acid Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)C(C)C(=O)O

InChI

InChI=1S/C24H35N3O2/c1-3-4-5-6-7-8-9-21-10-11-23-22(18-21)12-16-27(23,20(2)24(28)29)17-15-26-14-13-25-19-26/h10-11,13-14,18-20H,3-9,12,15-17H2,1-2H3/p+1