2-chloranylethanoyl-(2,6-dimethylphenyl)-phenyl-(pyrazol-1-ylmethyl)azanium

Systemtic Name: 2-chloranylethanoyl-(2,6-dimethylphenyl)-phenyl-(pyrazol-1-ylmethyl)azanium Openeye Name: (2-chloroacetyl)-(2,6-dimethylphenyl)-phenyl-(pyrazol-1-ylmethyl)ammonium CAS Name: (2-chloro-1-oxoethyl)-(2,6-dimethylphenyl)-phenyl-(1-pyrazolylmethyl)ammonium IUPAC Name: (2-chloroacetyl)-(2,6-dimethylphenyl)-phenyl-(pyrazol-1-ylmethyl)azanium Traditional Name: (2-chloroacetyl)-(2,6-dimethylphenyl)-phenyl-(pyrazol-1-ylmethyl)ammonium Formula: C20H21ClN3O+ MolecularWeight: 354.85324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+](CN2C=CC=N2)(C3=CC=CC=C3)C(=O)CCl

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+](CN2C=CC=N2)(C3=CC=CC=C3)C(=O)CCl

InChI

InChI=1S/C20H21ClN3O/c1-16-8-6-9-17(2)20(16)24(19(25)14-21,15-23-13-7-12-22-23)18-10-4-3-5-11-18/h3-13H,14-15H2,1-2H3/q+1