(2-ethylsulfanylpyrimidin-5-yl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]ammonium CAS Name: [2-(ethylthio)-5-pyrimidinyl]methyl-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (2-ethylsulfanylpyrimidin-5-yl)methyl-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Traditional Name: [2-(ethylthio)pyrimidin-5-yl]methyl-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]ammonium Formula: C18H27N5OS+2 MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCC(C3)O

Isomeric SMILES

CCSC1=NC=C(C=N1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C18H25N5OS/c1-2-25-18-21-10-14(11-22-18)9-19-12-15-5-3-7-20-17(15)23-8-4-6-16(24)13-23/h3,5,7,10-11,16,19,24H,2,4,6,8-9,12-13H2,1H3/p+2/t16-/m0/s1