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

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-1-ium-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-methylpiperidin-1-ium-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidin-1-iumyl)-4-[[4-(methylthio)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-1-ium-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-methylpiperidin-1-ium-4-yl)-4-[4-(methylthio)benzyl]piperazin-4-ium-2-yl]ethanol Formula: C20H35N3OS+2 MolecularWeight: 365.5764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CC[NH+](CC2CCO)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+]1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H33N3OS/c1-21-10-7-18(8-11-21)23-13-12-22(16-19(23)9-14-24)15-17-3-5-20(25-2)6-4-17/h3-6,18-19,24H,7-16H2,1-2H3/p+2/t19-/m0/s1