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

Systemtic Name: 2-[(2R,6S)-4,4-dimethyl-6-oxidanyl-6-pentadecyl-morpholin-4-ium-2-yl]ethanoic acid bromide Openeye Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-pentadecyl-morpholin-4-ium-2-yl]acetic acid bromide CAS Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-pentadecyl-2-morpholin-4-iumyl]acetic acid bromide IUPAC Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-pentadecylmorpholin-4-ium-2-yl]acetic acid bromide Traditional Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-pentadecyl-morpholin-4-ium-2-yl]acetic acid bromide Formula: C23H46BrNO4 MolecularWeight: 480.51964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H45NO4.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26;/h21,27H,4-20H2,1-3H3;1H/t21-,23+;/m1./s1