diethyl-methyl-[2-[[4-[(2-octoxyphenyl)carbonylamino]phenyl]carbonylamino]ethyl]azanium bromide

Systemtic Name: diethyl-methyl-[2-[[4-[(2-octoxyphenyl)carbonylamino]phenyl]carbonylamino]ethyl]azanium bromide Openeye Name: diethyl-methyl-[2-[[4-[(2-octoxybenzoyl)amino]benzoyl]amino]ethyl]ammonium bromide CAS Name: diethyl-methyl-[2-[[[4-[[(2-octoxyphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]ethyl]ammonium bromide IUPAC Name: diethyl-methyl-[2-[[4-[(2-octoxybenzoyl)amino]benzoyl]amino]ethyl]azanium bromide Traditional Name: diethyl-methyl-[2-[[4-[(2-octoxybenzoyl)amino]benzoyl]amino]ethyl]ammonium bromide Formula: C29H44BrN3O3 MolecularWeight: 562.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NCC[N+](C)(CC)CC.[Br-]

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NCC[N+](C)(CC)CC.[Br-]

InChI

InChI=1S/C29H43N3O3.BrH/c1-5-8-9-10-11-14-23-35-27-16-13-12-15-26(27)29(34)31-25-19-17-24(18-20-25)28(33)30-21-22-32(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3,(H-,30,31,33,34);1H