[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

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