[3-methyl-5-[(2S)-4-methylpentan-2-yl]oxy-1-phenyl-pyrazol-4-yl]methylazanium

Systemtic Name: [3-methyl-5-[(2S)-4-methylpentan-2-yl]oxy-1-phenyl-pyrazol-4-yl]methylazanium Openeye Name: [5-[(1S)-1,3-dimethylbutoxy]-3-methyl-1-phenyl-pyrazol-4-yl]methylammonium CAS Name: [3-methyl-5-[(2S)-4-methylpentan-2-yl]oxy-1-phenyl-4-pyrazolyl]methylammonium IUPAC Name: [3-methyl-5-[(2S)-4-methylpentan-2-yl]oxy-1-phenylpyrazol-4-yl]methylazanium Traditional Name: [5-[(1S)-1,3-dimethylbutoxy]-3-methyl-1-phenyl-pyrazol-4-yl]methylammonium Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH3+])OC(C)CC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C[NH3+])O[C@@H](C)CC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H25N3O/c1-12(2)10-13(3)21-17-16(11-18)14(4)19-20(17)15-8-6-5-7-9-15/h5-9,12-13H,10-11,18H2,1-4H3/p+1/t13-/m0/s1