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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-6-nonoxy-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-6-nonoxy-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-6-nonoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-6-nonoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-6-nonoxy-indolin-1-ium-1-yl]acetic acid Formula: C24H36N3O3+ MolecularWeight: 414.56094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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