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

Systemtic Name: 2-[1-(1-ethoxy-1-ethyl-pyrrolidin-1-ium-2-yl)sulfanylpropoxy]pyrimidine Openeye Name: 2-[1-(1-ethoxy-1-ethyl-pyrrolidin-1-ium-2-yl)sulfanylpropoxy]pyrimidine CAS Name: 2-[1-[(1-ethoxy-1-ethyl-2-pyrrolidin-1-iumyl)thio]propoxy]pyrimidine IUPAC Name: 2-[1-(1-ethoxy-1-ethylpyrrolidin-1-ium-2-yl)sulfanylpropoxy]pyrimidine Traditional Name: 2-[1-[(1-ethoxy-1-ethyl-pyrrolidin-1-ium-2-yl)thio]propoxy]pyrimidine Formula: C15H26N3O2S+ MolecularWeight: 312.45084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N3O2S/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/q+1