2-(2-chlorophenyl)-3-(1H-imidazol-3-ium-3-yl)propanenitrile

Systemtic Name: 2-(2-chlorophenyl)-3-(1H-imidazol-3-ium-3-yl)propanenitrile Openeye Name: 2-(2-chlorophenyl)-3-(1H-imidazol-3-ium-3-yl)propanenitrile CAS Name: 2-(2-chlorophenyl)-3-(1H-imidazol-3-ium-3-yl)propanenitrile IUPAC Name: 2-(2-chlorophenyl)-3-(1H-imidazol-3-ium-3-yl)propanenitrile Traditional Name: 2-(2-chlorophenyl)-3-(1H-imidazol-3-ium-3-yl)propionitrile Formula: C12H11ClN3+ MolecularWeight: 232.68884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C[N+]2=CNC=C2)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(C[N+]2=CNC=C2)C#N)Cl

InChI

InChI=1S/C12H10ClN3/c13-12-4-2-1-3-11(12)10(7-14)8-16-6-5-15-9-16/h1-6,9-10H,8H2/p+1