N-(4-ethoxyphenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-p-phenetyl-piperazin-4-ium-1-carbothioamide Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C15H23N3OS/c1-3-17-9-11-18(12-10-17)15(20)16-13-5-7-14(8-6-13)19-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,16,20)/p+1