N-(2-chlorophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-chlorophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chlorophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(2-chlorophenyl)-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chlorophenyl)-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chlorophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Formula: C13H19ClN3S+ MolecularWeight: 284.82806

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2Cl

InChI

InChI=1S/C13H18ClN3S/c1-2-16-7-9-17(10-8-16)13(18)15-12-6-4-3-5-11(12)14/h3-6H,2,7-10H2,1H3,(H,15,18)/p+1