3-hexyl-2,2-dimethyl-4-pentyl-3,4-dihydropyrazol-2-ium

Systemtic Name: 3-hexyl-2,2-dimethyl-4-pentyl-3,4-dihydropyrazol-2-ium Openeye Name: 3-hexyl-2,2-dimethyl-4-pentyl-3,4-dihydropyrazol-2-ium CAS Name: 3-hexyl-2,2-dimethyl-4-pentyl-3,4-dihydropyrazol-2-ium IUPAC Name: 3-hexyl-2,2-dimethyl-4-pentyl-3,4-dihydropyrazol-2-ium Traditional Name: 4-amyl-5-hexyl-1,1-dimethyl-2-pyrazolin-1-ium Formula: C16H33N2+ MolecularWeight: 253.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C=N[N+]1(C)C)CCCCC

Isomeric SMILES

CCCCCCC1C(C=N[N+]1(C)C)CCCCC

InChI

InChI=1S/C16H33N2/c1-5-7-9-11-13-16-15(12-10-8-6-2)14-17-18(16,3)4/h14-16H,5-13H2,1-4H3/q+1