2-[1-(1-ethoxy-1-ethyl-pyrrolidin-1-ium-2-yl)sulfanylpropoxy]pyrimidine chloride

Systemtic Name: 2-[1-(1-ethoxy-1-ethyl-pyrrolidin-1-ium-2-yl)sulfanylpropoxy]pyrimidine chloride Openeye Name: 2-[1-(1-ethoxy-1-ethyl-pyrrolidin-1-ium-2-yl)sulfanylpropoxy]pyrimidine chloride CAS Name: 2-[1-[(1-ethoxy-1-ethyl-2-pyrrolidin-1-iumyl)thio]propoxy]pyrimidine chloride IUPAC Name: 2-[1-(1-ethoxy-1-ethylpyrrolidin-1-ium-2-yl)sulfanylpropoxy]pyrimidine chloride Traditional Name: 2-[1-[(1-ethoxy-1-ethyl-pyrrolidin-1-ium-2-yl)thio]propoxy]pyrimidine chloride Formula: C15H26ClN3O2S MolecularWeight: 347.90384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=NC=CC=N1)SC2CCC[N+]2(CC)OCC.[Cl-]

Isomeric SMILES

CCC(OC1=NC=CC=N1)SC2CCC[N+]2(CC)OCC.[Cl-]

InChI

InChI=1S/C15H26N3O2S.ClH/c1-4-14(20-15-16-10-8-11-17-15)21-13-9-7-12-18(13,5-2)19-6-3;/h8,10-11,13-14H,4-7,9,12H2,1-3H3;1H/q+1;/p-1