N-(2-methoxyethyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methoxyethyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C16H26N3OS+ MolecularWeight: 308.46214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CC[NH+](CC1)CCC2=CC=CC=C2

Isomeric SMILES

COCCNC(=S)N1CC[NH+](CC1)CCC2=CC=CC=C2

InChI

InChI=1S/C16H25N3OS/c1-20-14-8-17-16(21)19-12-10-18(11-13-19)9-7-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,17,21)/p+1