tert-butyl (4R)-2,2-dimethyl-4-[(S)-(3-methyl-1,3-thiazol-3-ium-2-yl)-phenylmethoxy-methyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4R)-2,2-dimethyl-4-[(S)-(3-methyl-1,3-thiazol-3-ium-2-yl)-phenylmethoxy-methyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4R)-4-[(S)-benzyloxy-(3-methylthiazol-3-ium-2-yl)methyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4R)-2,2-dimethyl-4-[(S)-(3-methyl-2-thiazol-3-iumyl)-phenylmethoxymethyl]-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-2,2-dimethyl-4-[(S)-(3-methyl-1,3-thiazol-3-ium-2-yl)-phenylmethoxymethyl]-1,3-oxazolidine-3-carboxylate Traditional Name: (4R)-4-[(S)-benzoxy-(3-methylthiazol-3-ium-2-yl)methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(CO1)C(C2=[N+](C=CS2)C)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(N([C@H](CO1)[C@@H](C2=[N+](C=CS2)C)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H31N2O4S/c1-21(2,3)28-20(25)24-17(15-27-22(24,4)5)18(19-23(6)12-13-29-19)26-14-16-10-8-7-9-11-16/h7-13,17-18H,14-15H2,1-6H3/q+1/t17-,18+/m1/s1