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

Systemtic Name: 2-[(2S)-5-methylhexan-2-yl]-1H-pyrazol-2-ium-3-amine Openeye Name: 2-[(1S)-1,4-dimethylpentyl]-1H-pyrazol-2-ium-3-amine CAS Name: 2-[(2S)-5-methylhexan-2-yl]-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-[(2S)-5-methylhexan-2-yl]-1H-pyrazol-2-ium-3-amine Traditional Name: [2-[(1S)-1,4-dimethylpentyl]-1H-pyrazol-2-ium-3-yl]amine Formula: C10H20N3+ MolecularWeight: 182.2859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[N+]1=C(C=CN1)N

Isomeric SMILES

C[C@@H](CCC(C)C)[N+]1=C(C=CN1)N

InChI

InChI=1S/C10H19N3/c1-8(2)4-5-9(3)13-10(11)6-7-12-13/h6-9H,4-5H2,1-3H3,(H2,11,12)/p+1/t9-/m0/s1