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

Systemtic Name: (2-methoxy-3-tetradecoxy-propyl) 2-(1,3-thiazol-3-ium-3-ylmethyl)benzoate Openeye Name: (2-methoxy-3-tetradecoxy-propyl) 2-(thiazol-3-ium-3-ylmethyl)benzoate CAS Name: 2-(3-thiazol-3-iumylmethyl)benzoic acid (2-methoxy-3-tetradecoxypropyl) ester IUPAC Name: (2-methoxy-3-tetradecoxypropyl) 2-(1,3-thiazol-3-ium-3-ylmethyl)benzoate Traditional Name: 2-(thiazol-3-ium-3-ylmethyl)benzoic acid (2-methoxy-3-myristyloxy-propyl) ester Formula: C29H46NO4S+ MolecularWeight: 504.74484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-33-23-27(32-2)24-34-29(31)28-18-15-14-17-26(28)22-30-19-21-35-25-30/h14-15,17-19,21,25,27H,3-13,16,20,22-24H2,1-2H3/q+1