[1-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-piperidyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidinyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-piperidyl]piperidin-1-ium-4-yl]methanol Formula: C17H29N4OS+ MolecularWeight: 337.50336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN2CCCC(C2)[NH+]3CCC(CC3)CO

Isomeric SMILES

CSC1=NC=C(C=N1)CN2CCC[C@@H](C2)[NH+]3CCC(CC3)CO

InChI

InChI=1S/C17H28N4OS/c1-23-17-18-9-15(10-19-17)11-20-6-2-3-16(12-20)21-7-4-14(13-22)5-8-21/h9-10,14,16,22H,2-8,11-13H2,1H3/p+1/t16-/m0/s1