2-(4-bromophenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromophenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromophenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-bromophenyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromophenyl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H19BrN3OS+ MolecularWeight: 393.32126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3OS/c18-14-4-6-15(7-5-14)23-13-17(22)21-11-9-20(10-12-21)16-3-1-2-8-19-16/h1-8H,9-13H2/p+1