3-octadecyl-1,3-thiazol-3-ium perchlorate

Systemtic Name: 3-octadecyl-1,3-thiazol-3-ium perchlorate Openeye Name: 3-octadecylthiazol-3-ium perchlorate CAS Name: 3-octadecylthiazol-3-ium perchlorate IUPAC Name: 3-octadecyl-1,3-thiazol-3-ium perchlorate Traditional Name: 3-stearylthiazol-3-ium perchlorate Formula: C21H40ClNO4S MolecularWeight: 438.0646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CSC=C1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CSC=C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H40NS.ClHO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22;2-1(3,4)5/h19-21H,2-18H2,1H3;(H,2,3,4,5)/q+1;/p-1