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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4-bromophenyl)methylthio]-1-(4-ethyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4-bromobenzyl)thio]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Formula: C15H22BrN2OS+ MolecularWeight: 358.31698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H21BrN2OS/c1-2-17-7-9-18(10-8-17)15(19)12-20-11-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3/p+1