2-[1-(imidazol-1-ylmethyl)-5-octoxy-2,3-dihydroindol-1-ium-1-yl]propanoate

Systemtic Name: 2-[1-(imidazol-1-ylmethyl)-5-octoxy-2,3-dihydroindol-1-ium-1-yl]propanoate Openeye Name: 2-[1-(imidazol-1-ylmethyl)-5-octoxy-indolin-1-ium-1-yl]propanoate CAS Name: 2-[1-(1-imidazolylmethyl)-5-octoxy-2,3-dihydroindol-1-ium-1-yl]propanoate IUPAC Name: 2-[1-(imidazol-1-ylmethyl)-5-octoxy-2,3-dihydroindol-1-ium-1-yl]propanoate Traditional Name: 2-[1-(imidazol-1-ylmethyl)-5-octoxy-indolin-1-ium-1-yl]propionate Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)[N+](CC2)(CN3C=CN=C3)C(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)[N+](CC2)(CN3C=CN=C3)C(C)C(=O)[O-]

InChI

InChI=1S/C23H33N3O3/c1-3-4-5-6-7-8-15-29-21-9-10-22-20(16-21)11-14-26(22,19(2)23(27)28)18-25-13-12-24-17-25/h9-10,12-13,16-17,19H,3-8,11,14-15,18H2,1-2H3