3-(4-bromophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-1,2,4-triazine

Systemtic Name: 3-(4-bromophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-1,2,4-triazine Openeye Name: 3-(4-bromophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-1,2,4-triazine CAS Name: 3-(4-bromophenyl)-5-(4-methyl-1-piperazin-4-iumyl)-6-phenyl-1,2,4-triazine IUPAC Name: 3-(4-bromophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-1,2,4-triazine Traditional Name: 3-(4-bromophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-1,2,4-triazine Formula: C20H21BrN5+ MolecularWeight: 411.31824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN5/c1-25-11-13-26(14-12-25)20-18(15-5-3-2-4-6-15)23-24-19(22-20)16-7-9-17(21)10-8-16/h2-10H,11-14H2,1H3/p+1