3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2-tetradecyl-pyrazol-1-ium bromide

Systemtic Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2-tetradecyl-pyrazol-1-ium bromide Openeye Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2-tetradecyl-pyrazol-1-ium bromide CAS Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2-tetradecylpyrazol-1-ium bromide IUPAC Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2-tetradecylpyrazol-1-ium bromide Traditional Name: 3,5-dimethyl-1-myristyl-2-(4-nitrobenzyl)pyrazol-2-ium bromide Formula: C26H42BrN3O2 MolecularWeight: 508.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C(=CC(=[N+]1CC2=CC=C(C=C2)[N+](=O)[O-])C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCN1C(=CC(=[N+]1CC2=CC=C(C=C2)[N+](=O)[O-])C)C.[Br-]

InChI

InChI=1S/C26H42N3O2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-27-23(2)21-24(3)28(27)22-25-16-18-26(19-17-25)29(30)31;/h16-19,21H,4-15,20,22H2,1-3H3;1H/q+1;/p-1