2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidinyl)-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C18H32N5OS+ MolecularWeight: 366.54458

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CN=C(N=C3)SC

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C18H31N5OS/c1-21-6-3-16(4-7-21)23-9-8-22(14-17(23)5-10-24)13-15-11-19-18(25-2)20-12-15/h11-12,16-17,24H,3-10,13-14H2,1-2H3/p+1/t17-/m0/s1