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

Systemtic Name: [1,3-dimethyl-5-[(2S)-octan-2-yl]oxy-pyrazol-4-yl]methylazanium Openeye Name: [1,3-dimethyl-5-[(1S)-1-methylheptoxy]pyrazol-4-yl]methylammonium CAS Name: [1,3-dimethyl-5-[(2S)-octan-2-yl]oxy-4-pyrazolyl]methylammonium IUPAC Name: [1,3-dimethyl-5-[(2S)-octan-2-yl]oxypyrazol-4-yl]methylazanium Traditional Name: [1,3-dimethyl-5-[(1S)-1-methylheptoxy]pyrazol-4-yl]methylammonium Formula: C14H28N3O+ MolecularWeight: 254.39162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C(=NN1C)C)C[NH3+]

Isomeric SMILES

CCCCCC[C@H](C)OC1=C(C(=NN1C)C)C[NH3+]

InChI

InChI=1S/C14H27N3O/c1-5-6-7-8-9-11(2)18-14-13(10-15)12(3)16-17(14)4/h11H,5-10,15H2,1-4H3/p+1/t11-/m0/s1