2-[4-[(1R)-1-(5-chloranyl-2-phenylsulfanyl-phenyl)ethyl]piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: 2-[4-[(1R)-1-(5-chloranyl-2-phenylsulfanyl-phenyl)ethyl]piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-[(1R)-1-(5-chloro-2-phenylsulfanyl-phenyl)ethyl]piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-[(1R)-1-[5-chloro-2-(phenylthio)phenyl]ethyl]-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-[(1R)-1-(5-chloro-2-phenylsulfanylphenyl)ethyl]piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-[(1R)-1-[5-chloro-2-(phenylthio)phenyl]ethyl]piperazine-1,4-diium-1-yl]ethanol Formula: C20H27ClN2OS+2 MolecularWeight: 378.95918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2)[NH+]3CC[NH+](CC3)CCO

Isomeric SMILES

C[C@H](C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2)[NH+]3CC[NH+](CC3)CCO

InChI

InChI=1S/C20H25ClN2OS/c1-16(23-11-9-22(10-12-23)13-14-24)19-15-17(21)7-8-20(19)25-18-5-3-2-4-6-18/h2-8,15-16,24H,9-14H2,1H3/p+2/t16-/m1/s1