1-[1-(3,4-diethoxyphenyl)-2-ethyl-imidazol-1-ium-1-yl]-2,3-dihydroisoindol-1-ol

Systemtic Name: 1-[1-(3,4-diethoxyphenyl)-2-ethyl-imidazol-1-ium-1-yl]-2,3-dihydroisoindol-1-ol Openeye Name: 1-[1-(3,4-diethoxyphenyl)-2-ethyl-imidazol-1-ium-1-yl]isoindolin-1-ol CAS Name: 1-[1-(3,4-diethoxyphenyl)-2-ethyl-1-imidazol-1-iumyl]-2,3-dihydroisoindol-1-ol IUPAC Name: 1-[1-(3,4-diethoxyphenyl)-2-ethylimidazol-1-ium-1-yl]-2,3-dihydroisoindol-1-ol Traditional Name: 1-[1-(3,4-diethoxyphenyl)-2-ethyl-imidazol-1-ium-1-yl]isoindolin-1-ol Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C[N+]1(C2=CC(=C(C=C2)OCC)OCC)C3(C4=CC=CC=C4CN3)O

Isomeric SMILES

CCC1=NC=C[N+]1(C2=CC(=C(C=C2)OCC)OCC)C3(C4=CC=CC=C4CN3)O

InChI

InChI=1S/C23H28N3O3/c1-4-22-24-13-14-26(22,23(27)19-10-8-7-9-17(19)16-25-23)18-11-12-20(28-5-2)21(15-18)29-6-3/h7-15,25,27H,4-6,16H2,1-3H3/q+1