[3-[5-azanyl-2-carbonobromidoyl-2-(didodecylamino)-5-oxidanylidene-pentanoyl]-2-ethoxy-phenyl]-trimethyl-azanium

Systemtic Name: [3-[5-azanyl-2-carbonobromidoyl-2-(didodecylamino)-5-oxidanylidene-pentanoyl]-2-ethoxy-phenyl]-trimethyl-azanium Openeye Name: [3-[5-amino-2-bromocarbonyl-2-(didodecylamino)-5-oxo-pentanoyl]-2-ethoxy-phenyl]-trimethyl-ammonium CAS Name: [3-[5-amino-2-carbonobromidoyl-2-(didodecylamino)-1,5-dioxopentyl]-2-ethoxyphenyl]-trimethylammonium IUPAC Name: [3-[5-amino-2-carbonobromidoyl-2-(didodecylamino)-5-oxopentanoyl]-2-ethoxyphenyl]-trimethylazanium Traditional Name: [3-[5-amino-2-bromocarbonyl-2-(dilaurylamino)-5-keto-pentanoyl]-2-ethoxy-phenyl]-trimethyl-ammonium Formula: C41H73BrN3O4+ MolecularWeight: 751.94002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CCC(=O)N)(C(=O)C1=C(C(=CC=C1)[N+](C)(C)C)OCC)C(=O)Br

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CCC(=O)N)(C(=O)C1=C(C(=CC=C1)[N+](C)(C)C)OCC)C(=O)Br

InChI

InChI=1S/C41H72BrN3O4/c1-7-10-12-14-16-18-20-22-24-26-33-44(34-27-25-23-21-19-17-15-13-11-8-2)41(40(42)48,32-31-37(43)46)39(47)35-29-28-30-36(45(4,5)6)38(35)49-9-3/h28-30H,7-27,31-34H2,1-6H3,(H-,43,46)/p+1