[(3S,4R)-3-(3,5-dimethylpyrazol-1-yl)heptan-4-yl]azanium

Systemtic Name: [(3S,4R)-3-(3,5-dimethylpyrazol-1-yl)heptan-4-yl]azanium Openeye Name: [(1R,2S)-2-(3,5-dimethylpyrazol-1-yl)-1-propyl-butyl]ammonium CAS Name: [(3S,4R)-3-(3,5-dimethyl-1-pyrazolyl)heptan-4-yl]ammonium IUPAC Name: [(3S,4R)-3-(3,5-dimethylpyrazol-1-yl)heptan-4-yl]azanium Traditional Name: [(1R,2S)-2-(3,5-dimethylpyrazol-1-yl)-1-propyl-butyl]ammonium Formula: C12H24N3+ MolecularWeight: 210.33906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)N1C(=CC(=N1)C)C)[NH3+]

Isomeric SMILES

CCC[C@H]([C@H](CC)N1C(=CC(=N1)C)C)[NH3+]

InChI

InChI=1S/C12H23N3/c1-5-7-11(13)12(6-2)15-10(4)8-9(3)14-15/h8,11-12H,5-7,13H2,1-4H3/p+1/t11-,12+/m1/s1