1-[2-(2,4-dichlorophenyl)hexyl]-1H-1,2,4-triazol-1-ium nitrate

Systemtic Name: 1-[2-(2,4-dichlorophenyl)hexyl]-1H-1,2,4-triazol-1-ium nitrate Openeye Name: 1-[2-(2,4-dichlorophenyl)hexyl]-1H-1,2,4-triazol-1-ium nitrate CAS Name: 1-[2-(2,4-dichlorophenyl)hexyl]-1H-1,2,4-triazol-1-ium nitrate IUPAC Name: 1-[2-(2,4-dichlorophenyl)hexyl]-1H-1,2,4-triazol-1-ium nitrate Traditional Name: 1-[2-(2,4-dichlorophenyl)hexyl]-1H-1,2,4-triazol-1-ium nitrate Formula: C14H18Cl2N4O3 MolecularWeight: 361.22372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C[NH+]1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCC(C[NH+]1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl.[N+](=O)([O-])[O-]

InChI

InChI=1S/C14H17Cl2N3.NO3/c1-2-3-4-11(8-19-10-17-9-18-19)13-6-5-12(15)7-14(13)16;2-1(3)4/h5-7,9-11H,2-4,8H2,1H3;/q;-1/p+1