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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-4-nonoxy-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-4-nonoxy-indolin-1-ium-1-yl]acetic acid Formula: C24H36N3O3+ MolecularWeight: 414.56094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O3/c1-2-3-4-5-6-7-8-18-30-23-11-9-10-22-21(23)12-16-27(22,19-24(28)29)17-15-26-14-13-25-20-26/h9-11,13-14,20H,2-8,12,15-19H2,1H3/p+1