3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanethioamide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanethioamide Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)propanethioamide CAS Name: 3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanethioamide IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)propanethioamide Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)thiopropionamide Formula: C14H22N3S+ MolecularWeight: 264.40958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=S)N)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CCC(=S)N)CC2=CC=CC=C2

InChI

InChI=1S/C14H21N3S/c15-14(18)6-7-16-8-10-17(11-9-16)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,15,18)/p+1