N1,N4-bis(1-methylpyridin-1-ium-2-yl)benzene-1,4-dicarboxamide; methyl hydrogen sulfate

Systemtic Name: N1,N4-bis(1-methylpyridin-1-ium-2-yl)benzene-1,4-dicarboxamide; methyl hydrogen sulfate Openeye Name: N1,N4-bis(1-methylpyridin-1-ium-2-yl)terephthalamide; methyl hydrogen sulfate CAS Name: N1,N4-bis(1-methyl-2-pyridin-1-iumyl)benzene-1,4-dicarboxamide; sulfuric acid methyl ester IUPAC Name: 1-N,4-N-bis(1-methylpyridin-1-ium-2-yl)benzene-1,4-dicarboxamide; methyl hydrogen sulfate Traditional Name: N,N'-bis(1-methylpyridin-1-ium-2-yl)terephthalamide; sulfuric acid methyl ester Formula: C21H24N4O6S+2 MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=[N+]3C.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=[N+]3C.COS(=O)(=O)O

InChI

InChI=1S/C20H18N4O2.CH4O4S/c1-23-13-5-3-7-17(23)21-19(25)15-9-11-16(12-10-15)20(26)22-18-8-4-6-14-24(18)2;1-5-6(2,3)4/h3-14H,1-2H3;1H3,(H,2,3,4)/p+2