N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C15H24BrN3OS+2 MolecularWeight: 374.33956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NCCSC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H22BrN3OS/c1-18-7-9-19(10-8-18)12-15(20)17-6-11-21-14-4-2-13(16)3-5-14/h2-5H,6-12H2,1H3,(H,17,20)/p+2