(2S,4R)-4-[5-(3-dodecylimidazol-3-ium-1-yl)pentanoyloxy]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-[5-(3-dodecylimidazol-3-ium-1-yl)pentanoyloxy]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-[5-(3-dodecylimidazol-3-ium-1-yl)pentanoyloxy]pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-[5-(3-dodecyl-1-imidazol-3-iumyl)-1-oxopentoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-[5-(3-dodecylimidazol-3-ium-1-yl)pentanoyloxy]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-[5-(3-laurylimidazol-3-ium-1-yl)pentanoyloxy]proline Formula: C25H44N3O4+ MolecularWeight: 450.63456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CN(C=C1)CCCCC(=O)OC2CC(NC2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CN(C=C1)CCCCC(=O)O[C@@H]2C[C@H](NC2)C(=O)O

InChI

InChI=1S/C25H43N3O4/c1-2-3-4-5-6-7-8-9-10-12-15-27-17-18-28(21-27)16-13-11-14-24(29)32-22-19-23(25(30)31)26-20-22/h17-18,21-23,26H,2-16,19-20H2,1H3/p+1/t22-,23+/m1/s1