2-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(3-bromobenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C15H18BrN4+ MolecularWeight: 334.23422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C3=NC=CC=N3

InChI

InChI=1S/C15H17BrN4/c16-14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10,12H2/p+1