4-(4-bromophenyl)-6-phenyl-2-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 4-(4-bromophenyl)-6-phenyl-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-(4-bromophenyl)-6-phenyl-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-(4-bromophenyl)-6-phenyl-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(4-bromophenyl)-6-phenyl-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-(4-bromophenyl)-6-phenyl-2-piperazin-4-ium-1-yl-pyrimidine Formula: C20H20BrN4+ MolecularWeight: 396.3036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H19BrN4/c21-17-8-6-16(7-9-17)19-14-18(15-4-2-1-3-5-15)23-20(24-19)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2/p+1