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

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[[3-(methylthio)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-[3-(methylthio)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C19H33N2OS+ MolecularWeight: 337.54312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2OS/c1-16(2)7-9-21-11-10-20(15-18(21)8-12-22)14-17-5-4-6-19(13-17)23-3/h4-6,13,16,18,22H,7-12,14-15H2,1-3H3/p+1/t18-/m0/s1