1,4-dimethylbenzene; pyridin-1-ium-4-carbonitrile

Systemtic Name: 1,4-dimethylbenzene; pyridin-1-ium-4-carbonitrile Openeye Name: p-xylene; pyridin-1-ium-4-carbonitrile CAS Name: 4-pyridin-1-iumcarbonitrile; 1,4-xylene IUPAC Name: pyridin-1-ium-4-carbonitrile; 1,4-xylene Traditional Name: p-xylene; pyridin-1-ium-4-carbonitrile Formula: C20H20N4+2 MolecularWeight: 316.3996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C.C1=C[NH+]=CC=C1C#N.C1=C[NH+]=CC=C1C#N

Isomeric SMILES

CC1=CC=C(C=C1)C.C1=C[NH+]=CC=C1C#N.C1=C[NH+]=CC=C1C#N

InChI

InChI=1S/C8H10.2C6H4N2/c1-7-3-5-8(2)6-4-7;2*7-5-6-1-3-8-4-2-6/h3-6H,1-2H3;2*1-4H/p+2