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

Systemtic Name: 4-(4-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine Openeye Name: 4-(4-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine CAS Name: 4-(4-bromophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-6-phenylpyrimidine IUPAC Name: 4-(4-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenylpyrimidine Traditional Name: 4-(4-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine Formula: C21H22BrN4+ MolecularWeight: 410.33018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H21BrN4/c1-25-11-13-26(14-12-25)21-23-19(16-5-3-2-4-6-16)15-20(24-21)17-7-9-18(22)10-8-17/h2-10,15H,11-14H2,1H3/p+1