[2-[(E)-18-(2-azanylethylamino)-7-oxidanyl-18-oxidanylidene-octadec-9-en-6-yl]oxy-2-oxidanylidene-ethyl]-trimethyl-azanium chloride

Systemtic Name: [2-[(E)-18-(2-azanylethylamino)-7-oxidanyl-18-oxidanylidene-octadec-9-en-6-yl]oxy-2-oxidanylidene-ethyl]-trimethyl-azanium chloride Openeye Name: [2-[(E)-13-(2-aminoethylamino)-2-hydroxy-13-oxo-1-pentyl-tridec-4-enoxy]-2-oxo-ethyl]-trimethyl-ammonium chloride CAS Name: [2-[(E)-18-(2-aminoethylamino)-7-hydroxy-18-oxooctadec-9-en-6-yl]oxy-2-oxoethyl]-trimethylammonium chloride IUPAC Name: [2-[(E)-18-(2-aminoethylamino)-7-hydroxy-18-oxooctadec-9-en-6-yl]oxy-2-oxoethyl]-trimethylazanium chloride Traditional Name: [2-[(E)-13-(2-aminoethylamino)-1-amyl-2-hydroxy-13-keto-tridec-4-enoxy]-2-keto-ethyl]-trimethyl-ammonium chloride Formula: C25H50ClN3O4 MolecularWeight: 492.1352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC=CCCCCCCCC(=O)NCCN)O)OC(=O)C[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCC(C(C/C=C/CCCCCCCC(=O)NCCN)O)OC(=O)C[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C25H49N3O4.ClH/c1-5-6-13-17-23(32-25(31)21-28(2,3)4)22(29)16-14-11-9-7-8-10-12-15-18-24(30)27-20-19-26;/h11,14,22-23,29H,5-10,12-13,15-21,26H2,1-4H3;1H/b14-11+;