2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile nitrate

Systemtic Name: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile nitrate Openeye Name: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile nitrate CAS Name: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile nitrate IUPAC Name: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile nitrate Traditional Name: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile nitrate Formula: C15H17Cl2N5O3 MolecularWeight: 386.23318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C[N+]1=CNN=C1)(C#N)C2=C(C=C(C=C2)Cl)Cl.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCC(C[N+]1=CNN=C1)(C#N)C2=C(C=C(C=C2)Cl)Cl.[N+](=O)([O-])[O-]

InChI

InChI=1S/C15H16Cl2N4.NO3/c1-2-3-6-15(8-18,9-21-10-19-20-11-21)13-5-4-12(16)7-14(13)17;2-1(3)4/h4-5,7,10-11H,2-3,6,9H2,1H3;/q;-1/p+1