diethyl-methyl-[3-[(4-nitrophenyl)carbonyl-(1-phenylethyl)amino]propyl]azanium bromide

Systemtic Name: diethyl-methyl-[3-[(4-nitrophenyl)carbonyl-(1-phenylethyl)amino]propyl]azanium bromide Openeye Name: diethyl-methyl-[3-[(4-nitrobenzoyl)-(1-phenylethyl)amino]propyl]ammonium bromide CAS Name: diethyl-methyl-[3-[[(4-nitrophenyl)-oxomethyl]-(1-phenylethyl)amino]propyl]ammonium bromide IUPAC Name: diethyl-methyl-[3-[(4-nitrobenzoyl)-(1-phenylethyl)amino]propyl]azanium bromide Traditional Name: diethyl-methyl-[3-[(4-nitrobenzoyl)-(1-phenylethyl)amino]propyl]ammonium bromide Formula: C23H32BrN3O3 MolecularWeight: 478.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N3O3.BrH/c1-5-26(4,6-2)18-10-17-24(19(3)20-11-8-7-9-12-20)23(27)21-13-15-22(16-14-21)25(28)29;/h7-9,11-16,19H,5-6,10,17-18H2,1-4H3;1H/q+1;/p-1