1-[(2-bromophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(2-bromophenyl)methyl]-4-(2-furylmethyl)piperazine-1,4-diium CAS Name: 1-[(2-bromophenyl)methyl]-4-(2-furanylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2-bromobenzyl)-4-(2-furfuryl)piperazine-1,4-diium Formula: C16H21BrN2O+2 MolecularWeight: 337.25474

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2Br)CC3=CC=CO3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2Br)CC3=CC=CO3

InChI

InChI=1S/C16H19BrN2O/c17-16-6-2-1-4-14(16)12-18-7-9-19(10-8-18)13-15-5-3-11-20-15/h1-6,11H,7-10,12-13H2/p+2