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

Systemtic Name: 2-[(2S)-4-[(4-methylsulfanylphenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[4-(methylthio)phenyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-methylsulfanylphenyl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[4-(methylthio)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C17H29N2OS+ MolecularWeight: 309.48996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2OS/c1-14(2)19-10-9-18(13-16(19)8-11-20)12-15-4-6-17(21-3)7-5-15/h4-7,14,16,20H,8-13H2,1-3H3/p+1/t16-/m0/s1