(E,2S,3R)-2-(dimethylamino)octadec-4-ene-1,3-diol hydrochloride

Systemtic Name: (E,2S,3R)-2-(dimethylamino)octadec-4-ene-1,3-diol hydrochloride Openeye Name: (E,2S,3R)-2-(dimethylamino)octadec-4-ene-1,3-diol hydrochloride CAS Name: (E,2S,3R)-2-(dimethylamino)-4-octadecene-1,3-diol hydrochloride IUPAC Name: (E,2S,3R)-2-(dimethylamino)octadec-4-ene-1,3-diol hydrochloride Traditional Name: (E,2S,3R)-2-(dimethylamino)octadec-4-ene-1,3-diol hydrochloride Formula: C20H42ClNO2 MolecularWeight: 364.00598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)N(C)C)O.Cl

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N(C)C)O.Cl

InChI

InChI=1S/C20H41NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3;/h16-17,19-20,22-23H,4-15,18H2,1-3H3;1H/b17-16+;/t19-,20+;/m0./s1