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

Systemtic Name: 1-decyl-3,5-dimethyl-2-(phenylmethyl)pyrazol-2-ium Openeye Name: 1-benzyl-2-decyl-3,5-dimethyl-pyrazol-1-ium CAS Name: 1-decyl-3,5-dimethyl-2-(phenylmethyl)pyrazol-2-ium IUPAC Name: 1-benzyl-2-decyl-3,5-dimethylpyrazol-1-ium Traditional Name: 1-benzyl-2-decyl-3,5-dimethyl-pyrazol-1-ium Formula: C22H35N2+ MolecularWeight: 327.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N2/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/q+1