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

Systemtic Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbothioamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-25-19-7-9-20(10-8-19)26-16-15-23-11-13-24(14-12-23)21(27)22-17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,27)/p+1