1,2,5-triphenyl-1,2,3,4-tetrazol-1-ium chloride hydrate

Systemtic Name: 1,2,5-triphenyl-1,2,3,4-tetrazol-1-ium chloride hydrate Openeye Name: 1,2,5-triphenyltetrazol-1-ium chloride hydrate CAS Name: 1,2,5-triphenyltetrazol-1-ium chloride hydrate IUPAC Name: 1,2,5-triphenyltetrazol-1-ium chloride hydrate Traditional Name: 1,2,5-triphenyltetrazol-1-ium chloride hydrate Formula: C19H17ClN4O MolecularWeight: 352.81748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](N(N=N2)C3=CC=CC=C3)C4=CC=CC=C4.O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](N(N=N2)C3=CC=CC=C3)C4=CC=CC=C4.O.[Cl-]

InChI

InChI=1S/C19H15N4.ClH.H2O/c1-4-10-16(11-5-1)19-20-21-23(18-14-8-3-9-15-18)22(19)17-12-6-2-7-13-17;;/h1-15H;1H;1H2/q+1;;/p-1