2,5-bis(4-methylphenyl)-1,2,3,4-tetrazol-1-ium-1-carbonitrile chloride

Systemtic Name: 2,5-bis(4-methylphenyl)-1,2,3,4-tetrazol-1-ium-1-carbonitrile chloride Openeye Name: 2,5-bis(p-tolyl)tetrazol-1-ium-1-carbonitrile chloride CAS Name: 2,5-bis(4-methylphenyl)-1-tetrazol-1-iumcarbonitrile chloride IUPAC Name: 2,5-bis(4-methylphenyl)tetrazol-1-ium-1-carbonitrile chloride Traditional Name: 2,5-bis(p-tolyl)tetrazol-1-ium-1-carbonitrile chloride Formula: C16H14ClN5 MolecularWeight: 311.76886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](N(N=N2)C3=CC=C(C=C3)C)C#N.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](N(N=N2)C3=CC=C(C=C3)C)C#N.[Cl-]

InChI

InChI=1S/C16H14N5.ClH/c1-12-3-7-14(8-4-12)16-18-19-21(20(16)11-17)15-9-5-13(2)6-10-15;/h3-10H,1-2H3;1H/q+1;/p-1