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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-(furan-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-(2-furylmethyl)piperazin-4-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-(2-furanylmethyl)piperazin-4-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-(furan-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-bromobenzyl)-4-(2-furfuryl)piperazin-4-ium Formula: C16H20BrN2O+ MolecularWeight: 336.2468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)CC3=CC=C(C=C3)Br

InChI

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