3-[(4-nitrophenyl)carbonylamino]propyl-tridecyl-sulfanium bromide

Systemtic Name: 3-[(4-nitrophenyl)carbonylamino]propyl-tridecyl-sulfanium bromide Openeye Name: 3-[(4-nitrobenzoyl)amino]propyl-tridecyl-sulfonium bromide CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propyl-tridecylsulfonium bromide IUPAC Name: 3-[(4-nitrobenzoyl)amino]propyl-tridecylsulfanium bromide Traditional Name: 3-[(4-nitrobenzoyl)amino]propyl-tridecyl-sulfonium bromide Formula: C23H39BrN2O3S MolecularWeight: 503.53636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC[SH+]CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCC[SH+]CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C23H38N2O3S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-19-29-20-13-18-24-23(26)21-14-16-22(17-15-21)25(27)28;/h14-17H,2-13,18-20H2,1H3,(H,24,26);1H