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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-octoxy-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-octoxy-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-octoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-octoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-5-octoxy-indolin-1-ium-1-yl]acetic acid Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3/c1-2-3-4-5-6-7-16-29-21-8-9-22-20(17-21)10-14-26(22,18-23(27)28)15-13-25-12-11-24-19-25/h8-9,11-12,17,19H,2-7,10,13-16,18H2,1H3/p+1