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

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(oxan-4-yl)azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-tetrahydropyran-4-yl-ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-(4-oxanyl)ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-(oxan-4-yl)azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-tetrahydropyran-4-yl-ammonium Formula: C23H28N3O+ MolecularWeight: 362.48792

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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+]C4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]C4CCOCC4

InChI

InChI=1S/C23H27N3O/c1-17-8-9-18(2)22(14-17)26-16-20(15-24-21-10-12-27-13-11-21)23(25-26)19-6-4-3-5-7-19/h3-9,14,16,21,24H,10-13,15H2,1-2H3/p+1