dihexadecyl (2R)-2-[2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoylamino]pentanedioate

Systemtic Name: dihexadecyl (2R)-2-[2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoylamino]pentanedioate Openeye Name: dihexadecyl (2R)-2-[[2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]acetyl]amino]pentanedioate CAS Name: (2R)-2-[[2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-1-oxoethyl]amino]pentanedioic acid dihexadecyl ester IUPAC Name: dihexadecyl (2R)-2-[[2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]acetyl]amino]pentanedioate Traditional Name: (2R)-2-[[2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]acetyl]amino]glutaric acid dicetyl ester Formula: C45H83N2O6S+ MolecularWeight: 780.21532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCCCCCC)NC(=O)C[N+]1=CSC(=C1C)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC[C@H](C(=O)OCCCCCCCCCCCCCCCC)NC(=O)C[N+]1=CSC(=C1C)CCO

InChI

InChI=1S/C45H82N2O6S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-52-44(50)33-32-41(46-43(49)38-47-39-54-42(34-35-48)40(47)3)45(51)53-37-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39,41,48H,4-38H2,1-3H3/p+1/t41-/m1/s1