2-hexyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-hexyl-1H-pyrazol-2-ium-3-amine Openeye Name: 2-hexyl-1H-pyrazol-2-ium-3-amine CAS Name: 2-hexyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-hexyl-1H-pyrazol-2-ium-3-amine Traditional Name: (2-hexyl-1H-pyrazol-2-ium-3-yl)amine Formula: C9H18N3+ MolecularWeight: 168.25932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(C=CN1)N

Isomeric SMILES

CCCCCC[N+]1=C(C=CN1)N

InChI

InChI=1S/C9H17N3/c1-2-3-4-5-8-12-9(10)6-7-11-12/h6-7H,2-5,8H2,1H3,(H2,10,11)/p+1