(2-methoxy-3-octadecoxy-propyl) 3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzoate

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) 3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzoate Openeye Name: (2-methoxy-3-octadecoxy-propyl) 3-[(5-methylthiazol-3-ium-3-yl)methyl]benzoate CAS Name: 3-[(5-methyl-3-thiazol-3-iumyl)methyl]benzoic acid (2-methoxy-3-octadecoxypropyl) ester IUPAC Name: (2-methoxy-3-octadecoxypropyl) 3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzoate Traditional Name: 3-[(5-methylthiazol-3-ium-3-yl)methyl]benzoic acid (2-methoxy-3-stearyloxy-propyl) ester Formula: C34H56NO4S+ MolecularWeight: 574.87774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H56NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-38-27-33(37-3)28-39-34(36)32-22-20-21-31(24-32)26-35-25-30(2)40-29-35/h20-22,24-25,29,33H,4-19,23,26-28H2,1-3H3/q+1