diethyl-methyl-[2-[(4-nitrophenyl)carbonyl-phenyl-amino]ethyl]azanium bromide

Systemtic Name: diethyl-methyl-[2-[(4-nitrophenyl)carbonyl-phenyl-amino]ethyl]azanium bromide Openeye Name: diethyl-methyl-[2-(N-(4-nitrobenzoyl)anilino)ethyl]ammonium bromide CAS Name: diethyl-methyl-[2-(N-[(4-nitrophenyl)-oxomethyl]anilino)ethyl]ammonium bromide IUPAC Name: diethyl-methyl-[2-(N-(4-nitrobenzoyl)anilino)ethyl]azanium bromide Traditional Name: diethyl-methyl-[2-(N-(4-nitrobenzoyl)anilino)ethyl]ammonium bromide Formula: C20H26BrN3O3 MolecularWeight: 436.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N3O3.BrH/c1-4-23(3,5-2)16-15-21(18-9-7-6-8-10-18)20(24)17-11-13-19(14-12-17)22(25)26;/h6-14H,4-5,15-16H2,1-3H3;1H/q+1;/p-1