1-hexadecyl-3,5-dimethyl-2-prop-2-enyl-pyrazol-2-ium bromide

Systemtic Name: 1-hexadecyl-3,5-dimethyl-2-prop-2-enyl-pyrazol-2-ium bromide Openeye Name: 1-allyl-2-hexadecyl-3,5-dimethyl-pyrazol-1-ium bromide CAS Name: 1-hexadecyl-3,5-dimethyl-2-prop-2-enylpyrazol-2-ium bromide IUPAC Name: 1-hexadecyl-3,5-dimethyl-2-prop-2-enylpyrazol-2-ium bromide Traditional Name: 1-allyl-2-cetyl-3,5-dimethyl-pyrazol-1-ium bromide Formula: C24H45BrN2 MolecularWeight: 441.5315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=CC(=[N+]1CC=C)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=CC(=[N+]1CC=C)C)C.[Br-]

InChI

InChI=1S/C24H45N2.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-24(4)22-23(3)25(26)20-6-2;/h6,22H,2,5,7-21H2,1,3-4H3;1H/q+1;/p-1