1-ethyl-2-hexadecyl-3,5-dimethyl-pyrazol-2-ium bromide

Systemtic Name: 1-ethyl-2-hexadecyl-3,5-dimethyl-pyrazol-2-ium bromide Openeye Name: 1-ethyl-2-hexadecyl-3,5-dimethyl-pyrazol-2-ium bromide CAS Name: 1-ethyl-2-hexadecyl-3,5-dimethylpyrazol-2-ium bromide IUPAC Name: 1-ethyl-2-hexadecyl-3,5-dimethylpyrazol-2-ium bromide Traditional Name: 1-cetyl-2-ethyl-3,5-dimethyl-pyrazol-1-ium bromide Formula: C23H45BrN2 MolecularWeight: 429.5208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C(C=C(N1CC)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C(C=C(N1CC)C)C.[Br-]

InChI

InChI=1S/C23H45N2.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(4)21-22(3)24(25)6-2;/h21H,5-20H2,1-4H3;1H/q+1;/p-1