3-azaniumylpropyl-bis(2-azanylethyl)-[(2-methylpropan-2-yl)oxycarbonyl]azanium dibromide

Systemtic Name: 3-azaniumylpropyl-bis(2-azanylethyl)-[(2-methylpropan-2-yl)oxycarbonyl]azanium dibromide Openeye Name: bis(2-aminoethyl)-(3-azaniumylpropyl)-tert-butoxycarbonyl-ammonium dibromide CAS Name: bis(2-aminoethyl)-(3-ammoniopropyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]ammonium dibromide IUPAC Name: bis(2-aminoethyl)-(3-azaniumylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]azanium dibromide Traditional Name: bis(2-aminoethyl)-(3-ammoniopropyl)-tert-butoxycarbonyl-ammonium dibromide Formula: C12H30Br2N4O2 MolecularWeight: 422.2002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+](CCC[NH3+])(CCN)CCN.[Br-].[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+](CCC[NH3+])(CCN)CCN.[Br-].[Br-]

InChI

InChI=1S/C12H29N4O2.2BrH/c1-12(2,3)18-11(17)16(9-6-14,10-7-15)8-4-5-13;;/h4-10,13-15H2,1-3H3;2*1H/q+1;;/p-1