2,4-bis(1-methylaziridin-1-ium-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(1-methylaziridin-1-ium-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(1-methylaziridin-1-ium-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(1-methyl-1-aziridin-1-iumyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(1-methylaziridin-1-ium-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(1-methylethylenimin-1-ium-1-yl)isophthalic acid Formula: C14H18N2O4+2 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC1)C2=C(C(=C(C=C2)C(=O)O)[N+]3(CC3)C)C(=O)O

Isomeric SMILES

C[N+]1(CC1)C2=C(C(=C(C=C2)C(=O)O)[N+]3(CC3)C)C(=O)O

InChI

InChI=1S/C14H16N2O4/c1-15(5-6-15)10-4-3-9(13(17)18)12(11(10)14(19)20)16(2)7-8-16/h3-4H,5-8H2,1-2H3/p+2