2-[(4-nitrophenyl)carbonyl-phenyl-amino]ethyl-pentan-3-yl-azanium bromide

Systemtic Name: 2-[(4-nitrophenyl)carbonyl-phenyl-amino]ethyl-pentan-3-yl-azanium bromide Openeye Name: 1-ethylpropyl-[2-(N-(4-nitrobenzoyl)anilino)ethyl]ammonium bromide CAS Name: 2-(N-[(4-nitrophenyl)-oxomethyl]anilino)ethyl-pentan-3-ylammonium bromide IUPAC Name: 2-(N-(4-nitrobenzoyl)anilino)ethyl-pentan-3-ylazanium bromide Traditional Name: 1-ethylpropyl-[2-(N-(4-nitrobenzoyl)anilino)ethyl]ammonium bromide Formula: C20H26BrN3O3 MolecularWeight: 436.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCC(CC)[NH2+]CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H25N3O3.BrH/c1-3-17(4-2)21-14-15-22(18-8-6-5-7-9-18)20(24)16-10-12-19(13-11-16)23(25)26;/h5-13,17,21H,3-4,14-15H2,1-2H3;1H