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

Systemtic Name: 2-[(2R,6S)-4,4-dimethyl-6-nonadecyl-6-oxidanyl-morpholin-4-ium-2-yl]ethanoic acid Openeye Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-nonadecyl-morpholin-4-ium-2-yl]acetic acid CAS Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-nonadecyl-2-morpholin-4-iumyl]acetic acid IUPAC Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-nonadecylmorpholin-4-ium-2-yl]acetic acid Traditional Name: 2-[(2R,6S)-6-hydroxy-4,4-dimethyl-6-nonadecyl-morpholin-4-ium-2-yl]acetic acid Formula: C27H54NO4+ MolecularWeight: 456.72196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC1(C[N+](CC(O1)CC(=O)O)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC[C@]1(C[N+](C[C@H](O1)CC(=O)O)(C)C)O

InChI

InChI=1S/C27H53NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)24-28(2,3)23-25(32-27)22-26(29)30/h25,31H,4-24H2,1-3H3/p+1/t25-,27+/m1/s1