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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[[3-(methylthio)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-[3-(methylthio)benzyl]piperazin-4-ium-2-yl]ethanol Formula: C23H33N2O2S+ MolecularWeight: 401.58532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC(=CC=C3)SC

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=CC=C3)SC

InChI

InChI=1S/C23H32N2O2S/c1-3-27-23-10-5-4-8-20(23)17-25-13-12-24(18-21(25)11-14-26)16-19-7-6-9-22(15-19)28-2/h4-10,15,21,26H,3,11-14,16-18H2,1-2H3/p+1/t21-/m0/s1