2-[1-(imidazol-1-ylmethyl)-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoate

Systemtic Name: 2-[1-(imidazol-1-ylmethyl)-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoate Openeye Name: 2-[1-(imidazol-1-ylmethyl)-4-nonoxy-indolin-1-ium-1-yl]propanoate CAS Name: 2-[1-(1-imidazolylmethyl)-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoate IUPAC Name: 2-[1-(imidazol-1-ylmethyl)-4-nonoxy-2,3-dihydroindol-1-ium-1-yl]propanoate Traditional Name: 2-[1-(imidazol-1-ylmethyl)-4-nonoxy-indolin-1-ium-1-yl]propionate Formula: C24H35N3O3 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC2=C1CC[N+]2(CN3C=CN=C3)C(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCOC1=CC=CC2=C1CC[N+]2(CN3C=CN=C3)C(C)C(=O)[O-]

InChI

InChI=1S/C24H35N3O3/c1-3-4-5-6-7-8-9-17-30-23-12-10-11-22-21(23)13-16-27(22,20(2)24(28)29)19-26-15-14-25-18-26/h10-12,14-15,18,20H,3-9,13,16-17,19H2,1-2H3