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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

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