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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-methylsulfanylphenyl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[[3-(methylthio)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-[3-(methylthio)benzyl]piperazin-4-ium-2-yl]ethanol Formula: C22H31N2OS+ MolecularWeight: 371.55934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H30N2OS/c1-18-6-3-4-8-20(18)16-24-12-11-23(17-21(24)10-13-25)15-19-7-5-9-22(14-19)26-2/h3-9,14,21,25H,10-13,15-17H2,1-2H3/p+1/t21-/m0/s1