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

Systemtic Name: 1-hexadecyl-3,5-dimethyl-2-(phenylmethyl)pyrazol-2-ium Openeye Name: 1-benzyl-2-hexadecyl-3,5-dimethyl-pyrazol-1-ium CAS Name: 1-hexadecyl-3,5-dimethyl-2-(phenylmethyl)pyrazol-2-ium IUPAC Name: 1-benzyl-2-hexadecyl-3,5-dimethylpyrazol-1-ium Traditional Name: 1-benzyl-2-cetyl-3,5-dimethyl-pyrazol-1-ium Formula: C28H47N2+ MolecularWeight: 411.68618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=CC(=[N+]1CC2=CC=CC=C2)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=CC(=[N+]1CC2=CC=CC=C2)C)C

InChI

InChI=1S/C28H47N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-26(2)24-27(3)30(29)25-28-21-18-17-19-22-28/h17-19,21-22,24H,4-16,20,23,25H2,1-3H3/q+1