diethyl-[4-[(4-nitrophenyl)carbonyl-(1-phenylethyl)amino]butyl]azanium bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3.BrH/c1-4-24(5-2)17-9-10-18-25(19(3)20-11-7-6-8-12-20)23(27)21-13-15-22(16-14-21)26(28)29;/h6-8,11-16,19H,4-5,9-10,17-18H2,1-3H3;1H