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

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(3-methoxypropyl)azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(3-methoxypropyl)ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-(3-methoxypropyl)azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(3-methoxypropyl)ammonium Formula: C22H28N3O+ MolecularWeight: 350.47722

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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+]CCCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O/c1-17-10-11-18(2)21(14-17)25-16-20(15-23-12-7-13-26-3)22(24-25)19-8-5-4-6-9-19/h4-6,8-11,14,16,23H,7,12-13,15H2,1-3H3/p+1