2-ethyl-4-[(4-ethyl-1,1-dimethyl-pyrrolidin-1-ium-3-yl)methyl]-N'-[2-[(E)-octadec-9-enoxy]-1-oxidanyl-propyl]pentanediamide

Systemtic Name: 2-ethyl-4-[(4-ethyl-1,1-dimethyl-pyrrolidin-1-ium-3-yl)methyl]-N'-[2-[(E)-octadec-9-enoxy]-1-oxidanyl-propyl]pentanediamide Openeye Name: 2-ethyl-4-[(4-ethyl-1,1-dimethyl-pyrrolidin-1-ium-3-yl)methyl]-N'-[1-hydroxy-2-[(E)-octadec-9-enoxy]propyl]pentanediamide CAS Name: 2-ethyl-4-[(4-ethyl-1,1-dimethyl-3-pyrrolidin-1-iumyl)methyl]-N'-[1-hydroxy-2-[(E)-octadec-9-enoxy]propyl]pentanediamide IUPAC Name: 2-ethyl-4-[(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)methyl]-N'-[1-hydroxy-2-[(E)-octadec-9-enoxy]propyl]pentanediamide Traditional Name: 2-ethyl-4-[(4-ethyl-1,1-dimethyl-pyrrolidin-1-ium-3-yl)methyl]-N'-[1-hydroxy-2-[(E)-octadec-9-enoxy]propyl]glutaramide Formula: C37H72N3O4+ MolecularWeight: 622.98528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(C)C(NC(=O)C(CC1C[N+](CC1CC)(C)C)CC(CC)C(=O)N)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(C)C(NC(=O)C(CC1C[N+](CC1CC)(C)C)CC(CC)C(=O)N)O

InChI

InChI=1S/C37H71N3O4/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-44-30(4)36(42)39-37(43)33(26-31(8-2)35(38)41)27-34-29-40(5,6)28-32(34)9-3/h16-17,30-34,36,42H,7-15,18-29H2,1-6H3,(H2-,38,39,41,43)/p+1/b17-16+