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

Systemtic Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2-tetradecyl-pyrazol-1-ium Openeye Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2-tetradecyl-pyrazol-1-ium CAS Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2-tetradecylpyrazol-1-ium IUPAC Name: 3,5-dimethyl-1-[(4-nitrophenyl)methyl]-2-tetradecylpyrazol-1-ium Traditional Name: 3,5-dimethyl-1-myristyl-2-(4-nitrobenzyl)pyrazol-2-ium Formula: C26H42N3O2+ MolecularWeight: 428.63058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N3O2/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/q+1