(2-methoxy-3-octadecoxy-propyl) 2-(1,3-thiazol-3-ium-3-ylmethyl)benzoate

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) 2-(1,3-thiazol-3-ium-3-ylmethyl)benzoate Openeye Name: (2-methoxy-3-octadecoxy-propyl) 2-(thiazol-3-ium-3-ylmethyl)benzoate CAS Name: 2-(3-thiazol-3-iumylmethyl)benzoic acid (2-methoxy-3-octadecoxypropyl) ester IUPAC Name: (2-methoxy-3-octadecoxypropyl) 2-(1,3-thiazol-3-ium-3-ylmethyl)benzoate Traditional Name: 2-(thiazol-3-ium-3-ylmethyl)benzoic acid (2-methoxy-3-stearyloxy-propyl) ester Formula: C33H54NO4S+ MolecularWeight: 560.85116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC=CC=C1C[N+]2=CSC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC=CC=C1C[N+]2=CSC=C2)OC

InChI

InChI=1S/C33H54NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-37-27-31(36-2)28-38-33(35)32-22-19-18-21-30(32)26-34-23-25-39-29-34/h18-19,21-23,25,29,31H,3-17,20,24,26-28H2,1-2H3/q+1