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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-propyl-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-propyl-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-propyl-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-propyl-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-5-propyl-indolin-1-ium-1-yl]propionic acid Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)C(C)C(=O)O

Isomeric SMILES

CCCC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)C(C)C(=O)O

InChI

InChI=1S/C19H25N3O2/c1-3-4-16-5-6-18-17(13-16)7-11-22(18,15(2)19(23)24)12-10-21-9-8-20-14-21/h5-6,8-9,13-15H,3-4,7,10-12H2,1-2H3/p+1