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

Systemtic Name: [3-ethyl-6-[(4-methoxyphenyl)methyl-(4-nitrophenyl)carbonyl-amino]hexan-3-yl]azanium bromide Openeye Name: [1,1-diethyl-4-[(4-methoxyphenyl)methyl-(4-nitrobenzoyl)amino]butyl]ammonium bromide CAS Name: [3-ethyl-6-[(4-methoxyphenyl)methyl-[(4-nitrophenyl)-oxomethyl]amino]hexan-3-yl]ammonium bromide IUPAC Name: [3-ethyl-6-[(4-methoxyphenyl)methyl-(4-nitrobenzoyl)amino]hexan-3-yl]azanium bromide Traditional Name: [1,1-diethyl-4-[(4-nitrobenzoyl)-p-anisyl-amino]butyl]ammonium bromide Formula: C23H32BrN3O4 MolecularWeight: 494.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCN(CC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH3+].[Br-]

Isomeric SMILES

CCC(CC)(CCCN(CC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH3+].[Br-]

InChI

InChI=1S/C23H31N3O4.BrH/c1-4-23(24,5-2)15-6-16-25(17-18-7-13-21(30-3)14-8-18)22(27)19-9-11-20(12-10-19)26(28)29;/h7-14H,4-6,15-17,24H2,1-3H3;1H