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

Systemtic Name: 4-ethyl-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-ethyl-N-(o-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-ethyl-N-(2-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-ethyl-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-(o-tolyl)piperazin-4-ium-1-carbothioamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NC2=CC=CC=C2C

InChI

InChI=1S/C14H21N3S/c1-3-16-8-10-17(11-9-16)14(18)15-13-7-5-4-6-12(13)2/h4-7H,3,8-11H2,1-2H3,(H,15,18)/p+1