2,6-ditert-butyl-4-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(S)-(4-methoxyphenyl)-(4-morpholin-4-iumyl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-ylmethyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]phenol Formula: C26H38NO3+ MolecularWeight: 412.58482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)OC)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H](C2=CC=C(C=C2)OC)[NH+]3CCOCC3

InChI

InChI=1S/C26H37NO3/c1-25(2,3)21-16-19(17-22(24(21)28)26(4,5)6)23(27-12-14-30-15-13-27)18-8-10-20(29-7)11-9-18/h8-11,16-17,23,28H,12-15H2,1-7H3/p+1/t23-/m0/s1