(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium Openeye Name: (2-anilino-2-oxo-ethyl)-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: (2-anilino-2-oxoethyl)-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: (2-anilino-2-oxoethyl)-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: (2-anilino-2-keto-ethyl)-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O/c1-16-20(17(2)25(23-16)19-12-8-5-9-13-19)14-24(3)15-21(26)22-18-10-6-4-7-11-18/h4-13H,14-15H2,1-3H3,(H,22,26)/p+1