4-cyclohexyl-1-phenyl-1,2,4-triazol-4-ium perchlorate

Systemtic Name: 4-cyclohexyl-1-phenyl-1,2,4-triazol-4-ium perchlorate Openeye Name: 4-cyclohexyl-1-phenyl-1,2,4-triazol-4-ium perchlorate CAS Name: 4-cyclohexyl-1-phenyl-1,2,4-triazol-4-ium perchlorate IUPAC Name: 4-cyclohexyl-1-phenyl-1,2,4-triazol-4-ium perchlorate Traditional Name: 4-cyclohexyl-1-phenyl-1,2,4-triazol-4-ium perchlorate Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2=CN(N=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CCC(CC1)[N+]2=CN(N=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H18N3.ClHO4/c1-3-7-13(8-4-1)16-11-15-17(12-16)14-9-5-2-6-10-14;2-1(3,4)5/h2,5-6,9-13H,1,3-4,7-8H2;(H,2,3,4,5)/q+1;/p-1