1-decyl-3,5-dimethyl-2-(phenylmethyl)pyrazol-2-ium bromide

Systemtic Name: 1-decyl-3,5-dimethyl-2-(phenylmethyl)pyrazol-2-ium bromide Openeye Name: 1-benzyl-2-decyl-3,5-dimethyl-pyrazol-1-ium bromide CAS Name: 1-decyl-3,5-dimethyl-2-(phenylmethyl)pyrazol-2-ium bromide IUPAC Name: 1-benzyl-2-decyl-3,5-dimethylpyrazol-1-ium bromide Traditional Name: 1-benzyl-2-decyl-3,5-dimethyl-pyrazol-1-ium bromide Formula: C22H35BrN2 MolecularWeight: 407.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=CC(=[N+]1CC2=CC=CC=C2)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCN1C(=CC(=[N+]1CC2=CC=CC=C2)C)C.[Br-]

InChI

InChI=1S/C22H35N2.BrH/c1-4-5-6-7-8-9-10-14-17-23-20(2)18-21(3)24(23)19-22-15-12-11-13-16-22;/h11-13,15-16,18H,4-10,14,17,19H2,1-3H3;1H/q+1;/p-1