(3-hexadecoxy-2-methoxy-propyl) 4-[(3-propylimidazol-1-ium-1-yl)methyl]benzoate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) 4-[(3-propylimidazol-1-ium-1-yl)methyl]benzoate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) 4-[(3-propylimidazol-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(3-propyl-1-imidazol-1-iumyl)methyl]benzoic acid (3-hexadecoxy-2-methoxypropyl) ester IUPAC Name: (3-hexadecoxy-2-methoxypropyl) 4-[(3-propylimidazol-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(3-propylimidazol-1-ium-1-yl)methyl]benzoic acid (3-cetyloxy-2-methoxy-propyl) ester Formula: C34H57N2O4+ MolecularWeight: 557.82738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC=C(C=C1)C[N+]2=CN(C=C2)CCC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC=C(C=C1)C[N+]2=CN(C=C2)CCC)OC

InChI

InChI=1S/C34H57N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-39-28-33(38-3)29-40-34(37)32-21-19-31(20-22-32)27-36-25-24-35(30-36)23-5-2/h19-22,24-25,30,33H,4-18,23,26-29H2,1-3H3/q+1