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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-octyl-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-octyl-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-octyl-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-octyl-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-5-octyl-indolin-1-ium-1-yl]acetic acid Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2/c1-2-3-4-5-6-7-8-20-9-10-22-21(17-20)11-15-26(22,18-23(27)28)16-14-25-13-12-24-19-25/h9-10,12-13,17,19H,2-8,11,14-16,18H2,1H3/p+1