1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)ethanone Formula: C20H31N4OS+ MolecularWeight: 375.55134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)(C)C

InChI

InChI=1S/C20H30N4OS/c1-16-13-20(2,3)21-19(26)24(16)15-18(25)23-11-9-22(10-12-23)14-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3,(H,21,26)/p+1