[6-aminocarbonyl-2-ethyl-4-[[2-[(E)-octadec-9-enoxy]-1-oxidanyl-propyl]carbamoyl]octyl]-ethyl-dimethyl-azanium

Systemtic Name: [6-aminocarbonyl-2-ethyl-4-[[2-[(E)-octadec-9-enoxy]-1-oxidanyl-propyl]carbamoyl]octyl]-ethyl-dimethyl-azanium Openeye Name: [6-carbamoyl-2-ethyl-4-[[1-hydroxy-2-[(E)-octadec-9-enoxy]propyl]carbamoyl]octyl]-ethyl-dimethyl-ammonium CAS Name: [6-carbamoyl-2-ethyl-4-[[[1-hydroxy-2-[(E)-octadec-9-enoxy]propyl]amino]-oxomethyl]octyl]-ethyl-dimethylammonium IUPAC Name: [6-carbamoyl-2-ethyl-4-[[1-hydroxy-2-[(E)-octadec-9-enoxy]propyl]carbamoyl]octyl]-ethyl-dimethylazanium Traditional Name: [6-carbamoyl-2-ethyl-4-[[1-hydroxy-2-[(E)-octadec-9-enoxy]propyl]carbamoyl]octyl]-ethyl-dimethyl-ammonium Formula: C37H74N3O4+ MolecularWeight: 625.00116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H73N3O4/c1-8-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44-31(5)36(42)39-37(43)34(29-33(10-3)35(38)41)28-32(9-2)30-40(6,7)11-4/h18-19,31-34,36,42H,8-17,20-30H2,1-7H3,(H2-,38,39,41,43)/p+1/b19-18+