1-(7-ethyl-1H-indol-3-yl)-2-(3-prop-2-enylimidazol-1-ium-1-yl)ethanone chloride

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-(3-prop-2-enylimidazol-1-ium-1-yl)ethanone chloride Openeye Name: 2-(3-allylimidazol-1-ium-1-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone chloride CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-(3-prop-2-enyl-1-imidazol-1-iumyl)ethanone chloride IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-(3-prop-2-enylimidazol-1-ium-1-yl)ethanone chloride Traditional Name: 2-(3-allylimidazol-1-ium-1-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone chloride Formula: C18H20ClN3O MolecularWeight: 329.8239

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C[N+]3=CN(C=C3)CC=C.[Cl-]

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C[N+]3=CN(C=C3)CC=C.[Cl-]

InChI

InChI=1S/C18H19N3O.ClH/c1-3-8-20-9-10-21(13-20)12-17(22)16-11-19-18-14(4-2)6-5-7-15(16)18;/h3,5-7,9-11,13H,1,4,8,12H2,2H3;1H