4-[2-(4-chloranylphenoxy)ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(4-chloranylphenoxy)ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(4-chlorophenoxy)ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(4-chlorophenoxy)ethyl]-N-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(4-chlorophenoxy)ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C14H21ClN3OS+ MolecularWeight: 314.85404

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H20ClN3OS/c1-16-14(20)18-8-6-17(7-9-18)10-11-19-13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,20)/p+1