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

Systemtic Name: [1,3-dimethyl-5-[(2S)-4-methylpentan-2-yl]oxy-pyrazol-4-yl]methylazanium Openeye Name: [5-[(1S)-1,3-dimethylbutoxy]-1,3-dimethyl-pyrazol-4-yl]methylammonium CAS Name: [1,3-dimethyl-5-[(2S)-4-methylpentan-2-yl]oxy-4-pyrazolyl]methylammonium IUPAC Name: [1,3-dimethyl-5-[(2S)-4-methylpentan-2-yl]oxypyrazol-4-yl]methylazanium Traditional Name: [5-[(1S)-1,3-dimethylbutoxy]-1,3-dimethyl-pyrazol-4-yl]methylammonium Formula: C12H24N3O+ MolecularWeight: 226.33846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O/c1-8(2)6-9(3)16-12-11(7-13)10(4)14-15(12)5/h8-9H,6-7,13H2,1-5H3/p+1/t9-/m0/s1