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

Systemtic Name: N-ethyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-ethyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-ethyl-4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-ethyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-ethyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CCOC2=CC=C(C=C2)OC

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CCOC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H25N3O2S/c1-3-17-16(22)19-10-8-18(9-11-19)12-13-21-15-6-4-14(20-2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,17,22)/p+1