(2-methoxy-3-tetradecoxy-propyl) 4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzoate

Systemtic Name: (2-methoxy-3-tetradecoxy-propyl) 4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzoate Openeye Name: (2-methoxy-3-tetradecoxy-propyl) 4-[(5-methylthiazol-3-ium-3-yl)methyl]benzoate CAS Name: 4-[(5-methyl-3-thiazol-3-iumyl)methyl]benzoic acid (2-methoxy-3-tetradecoxypropyl) ester IUPAC Name: (2-methoxy-3-tetradecoxypropyl) 4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzoate Traditional Name: 4-[(5-methylthiazol-3-ium-3-yl)methyl]benzoic acid (2-methoxy-3-myristyloxy-propyl) ester Formula: C30H48NO4S+ MolecularWeight: 518.77142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H48NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-34-23-29(33-3)24-35-30(32)28-18-16-27(17-19-28)22-31-21-26(2)36-25-31/h16-19,21,25,29H,4-15,20,22-24H2,1-3H3/q+1