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

Systemtic Name: 2-[5-hexyl-1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[5-hexyl-1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[5-hexyl-1-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[5-hexyl-1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[5-hexyl-1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]propionic acid Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)C(C)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)C(C)C(=O)O

InChI

InChI=1S/C22H31N3O2/c1-3-4-5-6-7-19-8-9-21-20(16-19)10-14-25(21,18(2)22(26)27)15-13-24-12-11-23-17-24/h8-9,11-12,16-18H,3-7,10,13-15H2,1-2H3/p+1