[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(3-methoxy-3-oxidanylidene-propyl)azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(3-methoxy-3-oxidanylidene-propyl)azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(3-methoxy-3-oxo-propyl)ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-(3-methoxy-3-oxopropyl)ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-(3-methoxy-3-oxopropyl)azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(3-keto-3-methoxy-propyl)ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CCC(=O)OC

InChI

InChI=1S/C22H25N3O2/c1-16-9-10-17(2)20(13-16)25-15-19(14-23-12-11-21(26)27-3)22(24-25)18-7-5-4-6-8-18/h4-10,13,15,23H,11-12,14H2,1-3H3/p+1