2-[4-[[5-(4-bromophenyl)furan-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[5-(4-bromophenyl)furan-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[5-(4-bromophenyl)-2-furyl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[5-(4-bromophenyl)-2-furanyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[5-(4-bromophenyl)furan-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[5-(4-bromophenyl)-2-furyl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C19H20BrN4O+ MolecularWeight: 400.2923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=C(C=C3)Br)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=C(C=C3)Br)C4=NC=CC=N4

InChI

InChI=1S/C19H19BrN4O/c20-16-4-2-15(3-5-16)18-7-6-17(25-18)14-23-10-12-24(13-11-23)19-21-8-1-9-22-19/h1-9H,10-14H2/p+1