2-[4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: 2-[4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol Formula: C19H34N3OS+3 MolecularWeight: 352.55776

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)CCO

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)CCO

InChI

InChI=1S/C19H31N3OS/c1-24-19-4-2-17(3-5-19)16-21-8-6-18(7-9-21)22-12-10-20(11-13-22)14-15-23/h2-5,18,23H,6-16H2,1H3/p+3