[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[2-(4-bromophenyl)sulfonylethyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[2-(4-bromophenyl)sulfonylethyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(2-brosylethyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C17H20BrN2O3S2+ MolecularWeight: 444.3863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H19BrN2O3S2/c18-14-3-5-15(6-4-14)25(22,23)13-11-19-7-9-20(10-8-19)17(21)16-2-1-12-24-16/h1-6,12H,7-11,13H2/p+1