(4-bromophenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-bromophenyl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromophenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C16H18BrN2O2+ MolecularWeight: 350.23032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H17BrN2O2/c17-14-5-3-13(4-6-14)16(20)19-9-7-18(8-10-19)12-15-2-1-11-21-15/h1-6,11H,7-10,12H2/p+1