2-[1-(2-imidazol-1-ylethyl)-6-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-6-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-6-nonoxy-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-6-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-6-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-6-nonoxy-indolin-1-ium-1-yl]propionic acid Formula: C25H38N3O3+ MolecularWeight: 428.58752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC2=C(CC[N+]2(CCN3C=CN=C3)C(C)C(=O)O)C=C1

Isomeric SMILES

CCCCCCCCCOC1=CC2=C(CC[N+]2(CCN3C=CN=C3)C(C)C(=O)O)C=C1

InChI

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