2-[[4-chloranyl-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-propanenitrile; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium

Systemtic Name: 2-[[4-chloranyl-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-propanenitrile; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Openeye Name: 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-propanenitrile; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium CAS Name: 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile; 1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium IUPAC Name: 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Traditional Name: 2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methyl-propionitrile; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Formula: C21H27ClN8+2 MolecularWeight: 426.94568

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N.C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C

Isomeric SMILES

CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N.C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C

InChI

InChI=1S/C12H14N2.C9H13ClN6/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h3-10H,1-2H3;4H2,1-3H3,(H2,12,13,14,15,16)/q+2;