2-[(4-bromophenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-bromophenyl)methylsulfanyl]ethanone CAS Name: 2-[(4-bromophenyl)methylthio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-bromophenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-bromobenzyl)thio]ethanone Formula: C20H24BrN2OS+ MolecularWeight: 420.38636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2OS/c21-19-8-6-18(7-9-19)15-25-16-20(24)23-12-10-22(11-13-23)14-17-4-2-1-3-5-17/h1-9H,10-16H2/p+1