4-butyl-3-(4-chlorophenyl)-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine chloride

Systemtic Name: 4-butyl-3-(4-chlorophenyl)-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine chloride Openeye Name: 4-butyl-3-(4-chlorophenyl)-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine chloride CAS Name: 4-butyl-3-(4-chlorophenyl)-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine chloride IUPAC Name: 4-butyl-3-(4-chlorophenyl)-1,4-dihydro-1,3,5-triazin-3-ium-2,6-diamine chloride Traditional Name: [6-amino-4-butyl-3-(4-chlorophenyl)-1,4-dihydro-s-triazin-3-ium-2-yl]amine chloride Formula: C13H19Cl2N5 MolecularWeight: 316.22946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N=C(NC(=[N+]1C2=CC=C(C=C2)Cl)N)N.[Cl-]

Isomeric SMILES

CCCCC1N=C(NC(=[N+]1C2=CC=C(C=C2)Cl)N)N.[Cl-]

InChI

InChI=1S/C13H18ClN5.ClH/c1-2-3-4-11-17-12(15)18-13(16)19(11)10-7-5-9(14)6-8-10;/h5-8,11H,2-4H2,1H3,(H4,15,16,17,18);1H