2-methylsulfanyl-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrimidine

Systemtic Name: 2-methylsulfanyl-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrimidine Openeye Name: 2-methylsulfanyl-5-[[(3S)-3-pyrrolidin-1-ium-1-yl-1-piperidyl]methyl]pyrimidine CAS Name: 2-(methylthio)-5-[[(3S)-3-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methyl]pyrimidine IUPAC Name: 2-methylsulfanyl-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]pyrimidine Traditional Name: 2-(methylthio)-5-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidino]methyl]pyrimidine Formula: C15H25N4S+ MolecularWeight: 293.4508

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN2CCCC(C2)[NH+]3CCCC3

Isomeric SMILES

CSC1=NC=C(C=N1)CN2CCC[C@@H](C2)[NH+]3CCCC3

InChI

InChI=1S/C15H24N4S/c1-20-15-16-9-13(10-17-15)11-18-6-4-5-14(12-18)19-7-2-3-8-19/h9-10,14H,2-8,11-12H2,1H3/p+1/t14-/m0/s1