[4-methyl-1-[(4-nitrophenyl)carbonylamino]pentadecan-4-yl]sulfanium bromide

Systemtic Name: [4-methyl-1-[(4-nitrophenyl)carbonylamino]pentadecan-4-yl]sulfanium bromide Openeye Name: [1-methyl-1-[3-[(4-nitrobenzoyl)amino]propyl]dodecyl]sulfonium bromide CAS Name: [4-methyl-1-[[(4-nitrophenyl)-oxomethyl]amino]pentadecan-4-yl]sulfonium bromide IUPAC Name: [4-methyl-1-[(4-nitrobenzoyl)amino]pentadecan-4-yl]sulfanium bromide Traditional Name: [1-methyl-1-[3-[(4-nitrobenzoyl)amino]propyl]dodecyl]sulfonium bromide Formula: C23H39BrN2O3S MolecularWeight: 503.53636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)(CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[SH2+].[Br-]

Isomeric SMILES

CCCCCCCCCCCC(C)(CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[SH2+].[Br-]

InChI

InChI=1S/C23H38N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-17-23(2,29)18-12-19-24-22(26)20-13-15-21(16-14-20)25(27)28;/h13-16,29H,3-12,17-19H2,1-2H3,(H,24,26);1H