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

Systemtic Name: 4-ethyl-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-ethyl-N-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-ethyl-piperazin-4-ium-1-carbothioamide Formula: C14H22N3S+ MolecularWeight: 264.40958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C14H21N3S/c1-2-16-8-10-17(11-9-16)14(18)15-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,15,18)/p+1