2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-octadecoxy-propoxy]carbonyl-ethanoyl-amino]ethyl-trimethyl-azanium

Systemtic Name: 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-octadecoxy-propoxy]carbonyl-ethanoyl-amino]ethyl-trimethyl-azanium Openeye Name: 2-[acetyl-[2-(1,3-dioxoisoindolin-2-yl)-3-octadecoxy-propoxy]carbonyl-amino]ethyl-trimethyl-ammonium CAS Name: 2-[acetyl-[[2-(1,3-dioxo-2-isoindolyl)-3-octadecoxypropoxy]-oxomethyl]amino]ethyl-trimethylammonium IUPAC Name: 2-[acetyl-[2-(1,3-dioxoisoindol-2-yl)-3-octadecoxypropoxy]carbonylamino]ethyl-trimethylazanium Traditional Name: 2-[acetyl-(2-phthalimido-3-stearyloxy-propoxy)carbonyl-amino]ethyl-trimethyl-ammonium Formula: C37H62N3O6+ MolecularWeight: 644.90468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)N(CC[N+](C)(C)C)C(=O)C)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)N(CC[N+](C)(C)C)C(=O)C)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C37H62N3O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-45-29-32(39-35(42)33-24-21-22-25-34(33)36(39)43)30-46-37(44)38(31(2)41)26-27-40(3,4)5/h21-22,24-25,32H,6-20,23,26-30H2,1-5H3/q+1