N-(2-methylprop-2-enyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methylprop-2-enyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3S/c1-14(2)12-17-16(20)19-10-8-18(9-11-19)13-15-6-4-3-5-7-15/h3-7H,1,8-13H2,2H3,(H,17,20)/p+1