2-[4-[(2-nonoxyphenyl)carbonylamino]phenyl]carbonyloxyethyl-pentan-3-yl-azanium bromide

Systemtic Name: 2-[4-[(2-nonoxyphenyl)carbonylamino]phenyl]carbonyloxyethyl-pentan-3-yl-azanium bromide Openeye Name: 1-ethylpropyl-[2-[4-[(2-nonoxybenzoyl)amino]benzoyl]oxyethyl]ammonium bromide CAS Name: 2-[[4-[[(2-nonoxyphenyl)-oxomethyl]amino]phenyl]-oxomethoxy]ethyl-pentan-3-ylammonium bromide IUPAC Name: 2-[4-[(2-nonoxybenzoyl)amino]benzoyl]oxyethyl-pentan-3-ylazanium bromide Traditional Name: 1-ethylpropyl-[2-[4-[(2-nonoxybenzoyl)amino]benzoyl]oxyethyl]ammonium bromide Formula: C30H45BrN2O4 MolecularWeight: 577.5933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[NH2+]C(CC)CC.[Br-]

Isomeric SMILES

CCCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[NH2+]C(CC)CC.[Br-]

InChI

InChI=1S/C30H44N2O4.BrH/c1-4-7-8-9-10-11-14-22-35-28-16-13-12-15-27(28)29(33)32-26-19-17-24(18-20-26)30(34)36-23-21-31-25(5-2)6-3;/h12-13,15-20,25,31H,4-11,14,21-23H2,1-3H3,(H,32,33);1H