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

Systemtic Name: 4-ethyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-ethyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-ethyl-N-(4-phenoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-ethyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H23N3OS/c1-2-21-12-14-22(15-13-21)19(24)20-16-8-10-18(11-9-16)23-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,20,24)/p+1