2-(2-azanylethylamino)ethyl-octadecyl-bis(2-oxidanyl-1-phenyl-ethyl)azanium

Systemtic Name: 2-(2-azanylethylamino)ethyl-octadecyl-bis(2-oxidanyl-1-phenyl-ethyl)azanium Openeye Name: 2-(2-aminoethylamino)ethyl-bis(2-hydroxy-1-phenyl-ethyl)-octadecyl-ammonium CAS Name: 2-(2-aminoethylamino)ethyl-bis(2-hydroxy-1-phenylethyl)-octadecylammonium IUPAC Name: 2-(2-aminoethylamino)ethyl-bis(2-hydroxy-1-phenylethyl)-octadecylazanium Traditional Name: 2-(2-aminoethylamino)ethyl-bis(2-hydroxy-1-phenyl-ethyl)-stearyl-ammonium Formula: C38H66N3O2+ MolecularWeight: 596.94954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CCNCCN)(C(CO)C1=CC=CC=C1)C(CO)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CCNCCN)(C(CO)C1=CC=CC=C1)C(CO)C2=CC=CC=C2

InChI

InChI=1S/C38H66N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-41(32-30-40-29-28-39,37(33-42)35-24-19-17-20-25-35)38(34-43)36-26-21-18-22-27-36/h17-22,24-27,37-38,40,42-43H,2-16,23,28-34,39H2,1H3/q+1