[3-ethyl-6-[(4-nitrophenyl)carbonyl-(1-phenylethyl)amino]hexan-3-yl]azanium bromide

Systemtic Name: [3-ethyl-6-[(4-nitrophenyl)carbonyl-(1-phenylethyl)amino]hexan-3-yl]azanium bromide Openeye Name: [1,1-diethyl-4-[(4-nitrobenzoyl)-(1-phenylethyl)amino]butyl]ammonium bromide CAS Name: [3-ethyl-6-[[(4-nitrophenyl)-oxomethyl]-(1-phenylethyl)amino]hexan-3-yl]ammonium bromide IUPAC Name: [3-ethyl-6-[(4-nitrobenzoyl)-(1-phenylethyl)amino]hexan-3-yl]azanium bromide Traditional Name: [1,1-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:

CCC(CC)(CCCN(C(C)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH3+].[Br-]

Isomeric SMILES

CCC(CC)(CCCN(C(C)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH3+].[Br-]

InChI

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