[(2S,3R)-1,4-bis[(2-methylpropan-2-yl)oxy]-3-(2-oxidanylphenoxy)butan-2-yl]oxymethylidene-dimethyl-azanium

Systemtic Name: [(2S,3R)-1,4-bis[(2-methylpropan-2-yl)oxy]-3-(2-oxidanylphenoxy)butan-2-yl]oxymethylidene-dimethyl-azanium Openeye Name: [(1S,2R)-3-tert-butoxy-1-(tert-butoxymethyl)-2-(2-hydroxyphenoxy)propoxy]methylene-dimethyl-ammonium CAS Name: [(2S,3R)-3-(2-hydroxyphenoxy)-1,4-bis[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethylidene-dimethylammonium IUPAC Name: [(2S,3R)-3-(2-hydroxyphenoxy)-1,4-bis[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethylidene-dimethylazanium Traditional Name: [(1S,2R)-3-tert-butoxy-1-(tert-butoxymethyl)-2-(2-hydroxyphenoxy)propoxy]methylene-dimethyl-ammonium Formula: C21H36NO5+ MolecularWeight: 382.51424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(COC(C)(C)C)OC1=CC=CC=C1O)OC=[N+](C)C

Isomeric SMILES

CC(C)(C)OC[C@@H]([C@@H](COC(C)(C)C)OC1=CC=CC=C1O)OC=[N+](C)C

InChI

InChI=1S/C21H35NO5/c1-20(2,3)25-13-18(24-15-22(7)8)19(14-26-21(4,5)6)27-17-12-10-9-11-16(17)23/h9-12,15,18-19H,13-14H2,1-8H3/p+1/t18-,19+/m0/s1