methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenyltridecan-2-yl)azanium bromide

Systemtic Name: methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenyltridecan-2-yl)azanium bromide Openeye Name: 1-benzyldodecyl-methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]ammonium bromide CAS Name: methyl-[2-[[2-(2-methyl-1-oxopropoxy)ethoxy-oxomethyl]amino]ethyl]-(1-phenyltridecan-2-yl)ammonium bromide IUPAC Name: methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenyltridecan-2-yl)azanium bromide Traditional Name: 1-benzyldodecyl-[2-(2-isobutyryloxyethoxycarbonylamino)ethyl]-methyl-ammonium bromide Formula: C29H51BrN2O4 MolecularWeight: 571.63024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)CCNC(=O)OCCOC(=O)C(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)CCNC(=O)OCCOC(=O)C(C)C.[Br-]

InChI

InChI=1S/C29H50N2O4.BrH/c1-5-6-7-8-9-10-11-12-16-19-27(24-26-17-14-13-15-18-26)31(4)21-20-30-29(33)35-23-22-34-28(32)25(2)3;/h13-15,17-18,25,27H,5-12,16,19-24H2,1-4H3,(H,30,33);1H