methyl 2-[(2R,6S)-4,4-dimethyl-6-oxidanyl-6-pentadecyl-morpholin-4-ium-2-yl]ethanoate bromide

Systemtic Name: methyl 2-[(2R,6S)-4,4-dimethyl-6-oxidanyl-6-pentadecyl-morpholin-4-ium-2-yl]ethanoate bromide Openeye Name: methyl 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-pentadecyl-morpholin-4-ium-2-yl]acetate bromide CAS Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-pentadecyl-2-morpholin-4-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-pentadecylmorpholin-4-ium-2-yl]acetate bromide Traditional Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-pentadecyl-morpholin-4-ium-2-yl]acetic acid methyl ester bromide Formula: C24H48BrNO4 MolecularWeight: 494.54622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1(C[N+](CC(O1)CC(=O)OC)(C)C)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCC[C@]1(C[N+](C[C@H](O1)CC(=O)OC)(C)C)O.[Br-]

InChI

InChI=1S/C24H48NO4.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)21-25(2,3)20-22(29-24)19-23(26)28-4;/h22,27H,5-21H2,1-4H3;1H/q+1;/p-1/t22-,24+;/m1./s1