(2R)-4-methyl-N-(3-methylsulfanylpropyl)-2-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: (2R)-4-methyl-N-(3-methylsulfanylpropyl)-2-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: (2R)-4-methyl-N-(3-methylsulfanylpropyl)-2-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: (2R)-4-methyl-N-[3-(methylthio)propyl]-2-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: (2R)-4-methyl-N-(3-methylsulfanylpropyl)-2-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: (2R)-4-methyl-N-[3-(methylthio)propyl]-2-phenyl-piperazin-4-ium-1-carbothioamide Formula: C16H26N3S2+ MolecularWeight: 324.52774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=S)NCCCSC

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=S)NCCCSC

InChI

InChI=1S/C16H25N3S2/c1-18-10-11-19(16(20)17-9-6-12-21-2)15(13-18)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,17,20)/p+1/t15-/m0/s1