4-[(4-methoxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-(2-methylprop-2-enyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methylallyl)-4-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=C)CNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H25N3OS/c1-14(2)12-18-17(22)20-10-8-19(9-11-20)13-15-4-6-16(21-3)7-5-15/h4-7H,1,8-13H2,2-3H3,(H,18,22)/p+1