3-(2-ethoxy-2-octadecoxy-2-propoxy-ethyl)-1-methyl-pyrrolidin-1-ium-2-ol chloride

Systemtic Name: 3-(2-ethoxy-2-octadecoxy-2-propoxy-ethyl)-1-methyl-pyrrolidin-1-ium-2-ol chloride Openeye Name: 3-(2-ethoxy-2-octadecoxy-2-propoxy-ethyl)-1-methyl-pyrrolidin-1-ium-2-ol chloride CAS Name: 3-(2-ethoxy-2-octadecoxy-2-propoxyethyl)-1-methyl-2-pyrrolidin-1-iumol chloride IUPAC Name: 3-(2-ethoxy-2-octadecoxy-2-propoxyethyl)-1-methylpyrrolidin-1-ium-2-ol chloride Traditional Name: 3-(2-ethoxy-2-propoxy-2-stearyloxy-ethyl)-1-methyl-pyrrolidin-1-ium-2-ol chloride Formula: C30H62ClNO4 MolecularWeight: 536.27058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(CC1CC[NH+](C1O)C)(OCC)OCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(CC1CC[NH+](C1O)C)(OCC)OCCC.[Cl-]

InChI

InChI=1S/C30H61NO4.ClH/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-35-30(33-7-3,34-25-6-2)27-28-23-24-31(4)29(28)32;/h28-29,32H,5-27H2,1-4H3;1H