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

Systemtic Name: 2-[(2S)-4-[(3-methylsulfanylphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-methylsulfanylphenyl)methyl]-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[3-(methylthio)phenyl]methyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methylsulfanylphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[3-(methylthio)benzyl]-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C19H27N2OS2+ MolecularWeight: 363.56048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CN2CC[NH+](C(C2)CCO)CC3=CSC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)CC3=CSC=C3

InChI

InChI=1S/C19H26N2OS2/c1-23-19-4-2-3-16(11-19)12-20-7-8-21(18(14-20)5-9-22)13-17-6-10-24-15-17/h2-4,6,10-11,15,18,22H,5,7-9,12-14H2,1H3/p+1/t18-/m0/s1