3-(4-bromophenyl)-4-propyl-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine chloride

Systemtic Name: 3-(4-bromophenyl)-4-propyl-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine chloride Openeye Name: 3-(4-bromophenyl)-4-propyl-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine chloride CAS Name: 3-(4-bromophenyl)-4-propyl-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine chloride IUPAC Name: 3-(4-bromophenyl)-4-propyl-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine chloride Traditional Name: [6-amino-3-(4-bromophenyl)-4-propyl-1,4-dihydro-s-triazin-3-ium-2-yl]amine chloride Formula: C12H17BrClN5 MolecularWeight: 346.65388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1N=C(NC(=[N+]1C2=CC=C(C=C2)Br)N)N.[Cl-]

Isomeric SMILES

CCCC1N=C(NC(=[N+]1C2=CC=C(C=C2)Br)N)N.[Cl-]

InChI

InChI=1S/C12H16BrN5.ClH/c1-2-3-10-16-11(14)17-12(15)18(10)9-6-4-8(13)5-7-9;/h4-7,10H,2-3H2,1H3,(H4,14,15,16,17);1H