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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)N2CC[NH+](CC2)CCO

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C16H25N3O2S/c1-21-15-4-2-14(3-5-15)6-7-17-16(22)19-10-8-18(9-11-19)12-13-20/h2-5,20H,6-13H2,1H3,(H,17,22)/p+1