1-phenyl-3-(4-prop-2-enylmorpholin-4-ium-4-yl)-1-thiophen-2-yl-propan-1-ol bromide

Systemtic Name: 1-phenyl-3-(4-prop-2-enylmorpholin-4-ium-4-yl)-1-thiophen-2-yl-propan-1-ol bromide Openeye Name: 3-(4-allylmorpholin-4-ium-4-yl)-1-phenyl-1-(2-thienyl)propan-1-ol bromide CAS Name: 1-phenyl-3-(4-prop-2-enyl-4-morpholin-4-iumyl)-1-thiophen-2-yl-1-propanol bromide IUPAC Name: 1-phenyl-3-(4-prop-2-enylmorpholin-4-ium-4-yl)-1-thiophen-2-ylpropan-1-ol bromide Traditional Name: 3-(4-allylmorpholin-4-ium-4-yl)-1-phenyl-1-(2-thienyl)propan-1-ol bromide Formula: C20H26BrNO2S MolecularWeight: 424.39494

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-]

Isomeric SMILES

C=CC[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-]

InChI

InChI=1S/C20H26NO2S.BrH/c1-2-11-21(13-15-23-16-14-21)12-10-20(22,19-9-6-17-24-19)18-7-4-3-5-8-18;/h2-9,17,22H,1,10-16H2;1H/q+1;/p-1