2,6-ditert-butyl-4-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenol Openeye Name: 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenol CAS Name: 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenol IUPAC Name: 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenol Traditional Name: 2,6-ditert-butyl-4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenol Formula: C21H36NO4+ MolecularWeight: 366.51484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OCC(C[NH+]2CCOCC2)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC[C@H](C[NH+]2CCOCC2)O

InChI

InChI=1S/C21H35NO4/c1-20(2,3)17-11-16(12-18(19(17)24)21(4,5)6)26-14-15(23)13-22-7-9-25-10-8-22/h11-12,15,23-24H,7-10,13-14H2,1-6H3/p+1/t15-/m0/s1