N-(3-methoxyphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C15H24N3OS+ MolecularWeight: 294.43556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NC2=CC(=CC=C2)OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C15H23N3OS/c1-3-7-17-8-10-18(11-9-17)15(20)16-13-5-4-6-14(12-13)19-2/h4-6,12H,3,7-11H2,1-2H3,(H,16,20)/p+1