1,4-dimethylbenzene; pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1,4-dimethylbenzene; pyridin-1-ium-3-carboxylic acid Openeye Name: p-xylene; pyridin-1-ium-3-carboxylic acid CAS Name: 3-pyridin-1-iumcarboxylic acid; 1,4-xylene IUPAC Name: pyridin-1-ium-3-carboxylic acid; 1,4-xylene Traditional Name: p-xylene; pyridin-1-ium-3-carboxylic acid Formula: C20H22N2O4+2 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C.C1=CC(=C[NH+]=C1)C(=O)O.C1=CC(=C[NH+]=C1)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C.C1=CC(=C[NH+]=C1)C(=O)O.C1=CC(=C[NH+]=C1)C(=O)O

InChI

InChI=1S/C8H10.2C6H5NO2/c1-7-3-5-8(2)6-4-7;2*8-6(9)5-2-1-3-7-4-5/h3-6H,1-2H3;2*1-4H,(H,8,9)/p+2