2-[1-(2-imidazol-1-ylethyl)-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-4-nonoxy-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-4-nonoxy-indolin-1-ium-1-yl]propionic acid Formula: C25H38N3O3+ MolecularWeight: 428.58752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC2=C1CC[N+]2(CCN3C=CN=C3)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCCOC1=CC=CC2=C1CC[N+]2(CCN3C=CN=C3)C(C)C(=O)O

InChI

InChI=1S/C25H37N3O3/c1-3-4-5-6-7-8-9-19-31-24-12-10-11-23-22(24)13-17-28(23,21(2)25(29)30)18-16-27-15-14-26-20-27/h10-12,14-15,20-21H,3-9,13,16-19H2,1-2H3/p+1