3-(4-chlorophenyl)-1-methoxy-1-methyl-urea; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; dichloride

Systemtic Name: 3-(4-chlorophenyl)-1-methoxy-1-methyl-urea; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; dichloride Openeye Name: 3-(4-chlorophenyl)-1-methoxy-1-methyl-urea; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; dichloride CAS Name: 3-(4-chlorophenyl)-1-methoxy-1-methylurea; 1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium; dichloride IUPAC Name: 3-(4-chlorophenyl)-1-methoxy-1-methylurea; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; dichloride Traditional Name: 3-(4-chlorophenyl)-1-methoxy-1-methyl-urea; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; dichloride Formula: C21H25Cl3N4O2 MolecularWeight: 471.8078

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.CN(C(=O)NC1=CC=C(C=C1)Cl)OC.[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.CN(C(=O)NC1=CC=C(C=C1)Cl)OC.[Cl-].[Cl-]

InChI

InChI=1S/C12H14N2.C9H11ClN2O2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;1-12(14-2)9(13)11-8-5-3-7(10)4-6-8;;/h3-10H,1-2H3;3-6H,1-2H3,(H,11,13);2*1H/q+2;;;/p-2