2-[4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C18H27BrN3O2S+ MolecularWeight: 429.39488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C

InChI

InChI=1S/C18H26BrN3O2S/c1-13(2)20-17(23)11-21-6-8-22(9-7-21)18(24)12-25-16-5-4-15(19)10-14(16)3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,20,23)/p+1