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

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(oxan-4-ylmethyl)azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-(4-oxanylmethyl)ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-(oxan-4-ylmethyl)azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C24H30N3O+ MolecularWeight: 376.5145

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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+]CC4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CC4CCOCC4

InChI

InChI=1S/C24H29N3O/c1-18-8-9-19(2)23(14-18)27-17-22(16-25-15-20-10-12-28-13-11-20)24(26-27)21-6-4-3-5-7-21/h3-9,14,17,20,25H,10-13,15-16H2,1-2H3/p+1