2-[(4-nitrophenyl)carbonylamino]ethyl-pentan-3-yl-azanium bromide

Systemtic Name: 2-[(4-nitrophenyl)carbonylamino]ethyl-pentan-3-yl-azanium bromide Openeye Name: 1-ethylpropyl-[2-[(4-nitrobenzoyl)amino]ethyl]ammonium bromide CAS Name: 2-[[(4-nitrophenyl)-oxomethyl]amino]ethyl-pentan-3-ylammonium bromide IUPAC Name: 2-[(4-nitrobenzoyl)amino]ethyl-pentan-3-ylazanium bromide Traditional Name: 1-ethylpropyl-[2-[(4-nitrobenzoyl)amino]ethyl]ammonium bromide Formula: C14H22BrN3O3 MolecularWeight: 360.24678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCC(CC)[NH2+]CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C14H21N3O3.BrH/c1-3-12(4-2)15-9-10-16-14(18)11-5-7-13(8-6-11)17(19)20;/h5-8,12,15H,3-4,9-10H2,1-2H3,(H,16,18);1H