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

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[(3S)-oxolan-3-yl]azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[(3S)-tetrahydrofuran-3-yl]ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-methyl-[(3S)-3-oxolanyl]ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methyl-[(3S)-oxolan-3-yl]azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-[(3S)-tetrahydrofuran-3-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[NH+](C)C4CCOC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+](C)[C@H]4CCOC4

InChI

InChI=1S/C23H27N3O/c1-17-9-10-18(2)22(13-17)26-15-20(14-25(3)21-11-12-27-16-21)23(24-26)19-7-5-4-6-8-19/h4-10,13,15,21H,11-12,14,16H2,1-3H3/p+1/t21-/m0/s1