(3-octadecoxy-2-propan-2-yloxy-propyl) 2-[(3,5-dimethyl-2H-1,3-thiazol-3-ium-3-yl)methyl]benzoate

Systemtic Name: (3-octadecoxy-2-propan-2-yloxy-propyl) 2-[(3,5-dimethyl-2H-1,3-thiazol-3-ium-3-yl)methyl]benzoate Openeye Name: (2-isopropoxy-3-octadecoxy-propyl) 2-[(3,5-dimethyl-2H-thiazol-3-ium-3-yl)methyl]benzoate CAS Name: 2-[(3,5-dimethyl-2H-thiazol-3-ium-3-yl)methyl]benzoic acid (3-octadecoxy-2-propan-2-yloxypropyl) ester IUPAC Name: (3-octadecoxy-2-propan-2-yloxypropyl) 2-[(3,5-dimethyl-2H-1,3-thiazol-3-ium-3-yl)methyl]benzoate Traditional Name: 2-[(3,5-dimethyl-4-thiazolin-3-ium-3-yl)methyl]benzoic acid (2-isopropoxy-3-stearyloxy-propyl) ester Formula: C37H64NO4S+ MolecularWeight: 618.97336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H64NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-40-29-35(42-32(2)3)30-41-37(39)36-25-22-21-24-34(36)28-38(5)27-33(4)43-31-38/h21-22,24-25,27,32,35H,6-20,23,26,28-31H2,1-5H3/q+1