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

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[[3-(methylthio)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-[3-(methylthio)benzyl]piperazin-4-ium-2-yl]ethanol Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC(=CC=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H30N2O2S/c1-26-21-7-3-5-18(13-21)16-24-11-10-23(17-20(24)9-12-25)15-19-6-4-8-22(14-19)27-2/h3-8,13-14,20,25H,9-12,15-17H2,1-2H3/p+1/t20-/m0/s1