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

Systemtic Name: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile Openeye Name: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile CAS Name: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile IUPAC Name: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile Traditional Name: 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-4-ium-4-ylmethyl)hexanenitrile Formula: C15H17Cl2N4+ MolecularWeight: 324.22828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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