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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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