5-[(3S)-heptan-3-yl]-1H-pyrazol-2-ium-3-amine

Systemtic Name: 5-[(3S)-heptan-3-yl]-1H-pyrazol-2-ium-3-amine Openeye Name: 5-[(1S)-1-ethylpentyl]-1H-pyrazol-2-ium-3-amine CAS Name: 5-[(3S)-heptan-3-yl]-1H-pyrazol-2-ium-3-amine IUPAC Name: 5-[(3S)-heptan-3-yl]-1H-pyrazol-2-ium-3-amine Traditional Name: [5-[(1S)-1-ethylpentyl]-1H-pyrazol-2-ium-3-yl]amine Formula: C10H20N3+ MolecularWeight: 182.2859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=CC(=[NH+]N1)N

Isomeric SMILES

CCCC[C@H](CC)C1=CC(=[NH+]N1)N

InChI

InChI=1S/C10H19N3/c1-3-5-6-8(4-2)9-7-10(11)13-12-9/h7-8H,3-6H2,1-2H3,(H3,11,12,13)/p+1/t8-/m0/s1