3-azanylpropyl-methyl-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium bromide

Systemtic Name: 3-azanylpropyl-methyl-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium bromide Openeye Name: 3-aminopropyl-bis[3-(tert-butoxycarbonylamino)propyl]-methyl-ammonium bromide CAS Name: 3-aminopropyl-methyl-bis[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]ammonium bromide IUPAC Name: 3-aminopropyl-methyl-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium bromide Traditional Name: 3-aminopropyl-bis[3-(tert-butoxycarbonylamino)propyl]-methyl-ammonium bromide Formula: C20H43BrN4O4 MolecularWeight: 483.48382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC[N+](C)(CCCN)CCCNC(=O)OC(C)(C)C.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCC[N+](C)(CCCN)CCCNC(=O)OC(C)(C)C.[Br-]

InChI

InChI=1S/C20H42N4O4.BrH/c1-19(2,3)27-17(25)22-12-9-15-24(7,14-8-11-21)16-10-13-23-18(26)28-20(4,5)6;/h8-16,21H2,1-7H3,(H-,22,23,25,26);1H