(3-bromophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-bromophenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-bromophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C16H18BrN2OS+ MolecularWeight: 366.29592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2OS/c17-15-3-1-2-14(10-15)16(20)19-7-5-18(6-8-19)11-13-4-9-21-12-13/h1-4,9-10,12H,5-8,11H2/p+1