3-azanylpropyl-dimethyl-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium bromide

Systemtic Name: 3-azanylpropyl-dimethyl-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium bromide Openeye Name: 3-aminopropyl-[1-(tert-butoxycarbonylamino)propyl]-dimethyl-ammonium bromide CAS Name: 3-aminopropyl-dimethyl-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]ammonium bromide IUPAC Name: 3-aminopropyl-dimethyl-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium bromide Traditional Name: 3-aminopropyl-[1-(tert-butoxycarbonylamino)propyl]-dimethyl-ammonium bromide Formula: C13H30BrN3O2 MolecularWeight: 340.3002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)OC(C)(C)C)[N+](C)(C)CCCN.[Br-]

Isomeric SMILES

CCC(NC(=O)OC(C)(C)C)[N+](C)(C)CCCN.[Br-]

InChI

InChI=1S/C13H29N3O2.BrH/c1-7-11(16(5,6)10-8-9-14)15-12(17)18-13(2,3)4;/h11H,7-10,14H2,1-6H3;1H