2-[(2S)-1-methyl-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[3-(methylthio)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[3-(methylthio)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C15H25N2OS+ MolecularWeight: 281.4368

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC(=CC=C2)SC

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=CC=C2)SC

InChI

InChI=1S/C15H24N2OS/c1-16-7-8-17(12-14(16)6-9-18)11-13-4-3-5-15(10-13)19-2/h3-5,10,14,18H,6-9,11-12H2,1-2H3/p+1/t14-/m0/s1