2-[(4-bromophenyl)amino]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(4-bromophenyl)amino]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromoanilino)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromoanilino)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromoanilino)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromoanilino)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C17H21BrN3OS+ MolecularWeight: 395.33714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CNC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CNC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN3OS/c18-14-3-5-15(6-4-14)19-12-17(22)21-9-7-20(8-10-21)13-16-2-1-11-23-16/h1-6,11,19H,7-10,12-13H2/p+1