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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC=C(C=C3)SC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)SC)OC

InChI

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