2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethyl-methyl-di(tetradecyl)azanium iodide

Systemtic Name: 2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethyl-methyl-di(tetradecyl)azanium iodide Openeye Name: 2-[bis(tert-butoxycarbonylamino)methyleneamino]ethyl-methyl-di(tetradecyl)ammonium iodide CAS Name: 2-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]ethyl-methyl-di(tetradecyl)ammonium iodide IUPAC Name: 2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethyl-methyl-di(tetradecyl)azanium iodide Traditional Name: 2-[bis(tert-butoxycarbonylamino)methyleneamino]ethyl-methyl-dimyristyl-ammonium iodide Formula: C42H85IN4O4 MolecularWeight: 837.05317

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCC)CCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.[I-]

InChI

InChI=1S/C42H84N4O4.HI/c1-10-12-14-16-18-20-22-24-26-28-30-32-35-46(9,36-33-31-29-27-25-23-21-19-17-15-13-11-2)37-34-43-38(44-39(47)49-41(3,4)5)45-40(48)50-42(6,7)8;/h10-37H2,1-9H3,(H-,43,44,45,47,48);1H