N-butylbutan-1-amine; [2-(3-oxidanylidene-3-phenyl-propyl)phenyl]sulfanium; bromide

Systemtic Name: N-butylbutan-1-amine; [2-(3-oxidanylidene-3-phenyl-propyl)phenyl]sulfanium; bromide Openeye Name: N-butylbutan-1-amine; [2-(3-oxo-3-phenyl-propyl)phenyl]sulfonium; bromide CAS Name: N-butyl-1-butanamine; [2-(3-oxo-3-phenylpropyl)phenyl]sulfonium; bromide IUPAC Name: N-butylbutan-1-amine; [2-(3-oxo-3-phenylpropyl)phenyl]sulfanium; bromide Traditional Name: dibutylamine; [2-(3-keto-3-phenyl-propyl)phenyl]sulfonium; bromide Formula: C23H34BrNOS MolecularWeight: 452.49116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCC.C1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2[SH2+].[Br-]

Isomeric SMILES

CCCCNCCCC.C1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2[SH2+].[Br-]

InChI

InChI=1S/C15H14OS.C8H19N.BrH/c16-14(12-6-2-1-3-7-12)11-10-13-8-4-5-9-15(13)17;1-3-5-7-9-8-6-4-2;/h1-9,17H,10-11H2;9H,3-8H2,1-2H3;1H