N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-oxidanyl-octanediamide bromide

Systemtic Name: N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-oxidanyl-octanediamide bromide Openeye Name: N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-8-(hydroxyamino)-8-oxo-octanamide bromide CAS Name: N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide bromide IUPAC Name: N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide bromide Traditional Name: N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-8-(hydroxyamino)-8-keto-caprylamide bromide Formula: C30H46BrN4O3- MolecularWeight: 590.61524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNCCCCNCCCNC(=O)CCCCCCC(=O)NO)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(CCNCCCCNCCCNC(=O)CCCCCCC(=O)NO)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C30H46N4O3.BrH/c35-29(18-9-1-2-10-19-30(36)34-37)33-24-13-23-31-21-11-12-22-32-25-20-28(26-14-5-3-6-15-26)27-16-7-4-8-17-27;/h3-8,14-17,28,31-32,37H,1-2,9-13,18-25H2,(H,33,35)(H,34,36);1H/p-1