N-(3-ethoxypropyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-ethoxypropyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-ethoxypropyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide Formula: C17H28N3OS+ MolecularWeight: 322.48872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3OS/c1-2-21-14-6-9-18-17(22)20-12-10-19(11-13-20)15-16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3,(H,18,22)/p+1