(E)-[azanyl(butylamino)methylidene]-butyl-(1-sulfanylethyl)azanium hydrobromide

Systemtic Name: (E)-[azanyl(butylamino)methylidene]-butyl-(1-sulfanylethyl)azanium hydrobromide Openeye Name: (E)-[amino(butylamino)methylene]-butyl-(1-sulfanylethyl)ammonium hydrobromide CAS Name: (E)-[amino(butylamino)methylidene]-butyl-(1-mercaptoethyl)ammonium hydrobromide IUPAC Name: (E)-[amino(butylamino)methylidene]-butyl-(1-sulfanylethyl)azanium hydrobromide Traditional Name: (E)-[amino(butylamino)methylene]-butyl-(1-mercaptoethyl)ammonium hydrobromide Formula: C11H27BrN3S+ MolecularWeight: 313.32118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=[N+](CCCC)C(C)S)N.Br

Isomeric SMILES

CCCCN/C(=[N+](\CCCC)/C(C)S)/N.Br

InChI

InChI=1S/C11H25N3S.BrH/c1-4-6-8-13-11(12)14(10(3)15)9-7-5-2;/h10H,4-9H2,1-3H3,(H3,12,13,15);1H/p+1