bis(3-octadecoxypropyl)-[(E)-1-(2-oxidanylidenepyrrolidin-1-yl)-3-phenyl-prop-2-enyl]-propyl-azanium chloride

Systemtic Name: bis(3-octadecoxypropyl)-[(E)-1-(2-oxidanylidenepyrrolidin-1-yl)-3-phenyl-prop-2-enyl]-propyl-azanium chloride Openeye Name: bis(3-octadecoxypropyl)-[(E)-1-(2-oxopyrrolidin-1-yl)-3-phenyl-allyl]-propyl-ammonium chloride CAS Name: bis(3-octadecoxypropyl)-[(E)-1-(2-oxo-1-pyrrolidinyl)-3-phenylprop-2-enyl]-propylammonium chloride IUPAC Name: bis(3-octadecoxypropyl)-[(E)-1-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enyl]-propylazanium chloride Traditional Name: [(E)-1-(2-ketopyrrolidino)-3-phenyl-allyl]-propyl-bis(3-stearyloxypropyl)ammonium chloride Formula: C58H107ClN2O3 MolecularWeight: 915.93478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCC[N+](CCC)(CCCOCCCCCCCCCCCCCCCCCC)C(C=CC1=CC=CC=C1)N2CCCC2=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCC[N+](CCC)(CCCOCCCCCCCCCCCCCCCCCC)C(/C=C/C1=CC=CC=C1)N2CCCC2=O.[Cl-]

InChI

InChI=1S/C58H107N2O3.ClH/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-52-62-54-41-50-60(49-6-3,57(59-48-40-45-58(59)61)47-46-56-43-36-35-37-44-56)51-42-55-63-53-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;/h35-37,43-44,46-47,57H,4-34,38-42,45,48-55H2,1-3H3;1H/q+1;/p-1/b47-46+;