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

Systemtic Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O3S/c1-26-19-5-3-18(4-6-19)17-23-22(29)25-13-11-24(12-14-25)15-16-28-21-9-7-20(27-2)8-10-21/h3-10H,11-17H2,1-2H3,(H,23,29)/p+1