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

Systemtic Name: (3-bromophenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-bromophenyl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-bromophenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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