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

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[4-(methylthio)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[4-(methylthio)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C19H31N2OS+ MolecularWeight: 335.52724

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CC[NH+](C(C2)CCO)C3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3

InChI

InChI=1S/C19H30N2OS/c1-23-19-8-6-16(7-9-19)14-20-11-12-21(17-4-2-3-5-17)18(15-20)10-13-22/h6-9,17-18,22H,2-5,10-15H2,1H3/p+1/t18-/m0/s1