N2,N4-bis(4-methylphenyl)-6-pyridin-1-ium-1-yl-1,3,5-triazine-2,4-diamine chloride

Systemtic Name: N2,N4-bis(4-methylphenyl)-6-pyridin-1-ium-1-yl-1,3,5-triazine-2,4-diamine chloride Openeye Name: N2,N4-bis(p-tolyl)-6-pyridin-1-ium-1-yl-1,3,5-triazine-2,4-diamine chloride CAS Name: N2,N4-bis(4-methylphenyl)-6-(1-pyridin-1-iumyl)-1,3,5-triazine-2,4-diamine chloride IUPAC Name: 2-N,4-N-bis(4-methylphenyl)-6-pyridin-1-ium-1-yl-1,3,5-triazine-2,4-diamine chloride Traditional Name: [4-(p-toluidino)-6-pyridin-1-ium-1-yl-s-triazin-2-yl]-(p-tolyl)amine chloride Formula: C22H21ClN6 MolecularWeight: 404.89534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)[N+]3=CC=CC=C3)NC4=CC=C(C=C4)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)[N+]3=CC=CC=C3)NC4=CC=C(C=C4)C.[Cl-]

InChI

InChI=1S/C22H21N6.ClH/c1-16-6-10-18(11-7-16)23-20-25-21(24-19-12-8-17(2)9-13-19)27-22(26-20)28-14-4-3-5-15-28;/h3-15H,1-2H3,(H2,23,24,25,26,27);1H/q+1;/p-1