methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenylheptadecan-2-yl)azanium iodide

Systemtic Name: methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenylheptadecan-2-yl)azanium iodide Openeye Name: 1-benzylhexadecyl-methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]ammonium iodide CAS Name: methyl-[2-[[2-(2-methyl-1-oxopropoxy)ethoxy-oxomethyl]amino]ethyl]-(1-phenylheptadecan-2-yl)ammonium iodide IUPAC Name: methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenylheptadecan-2-yl)azanium iodide Traditional Name: 1-benzylhexadecyl-[2-(2-isobutyryloxyethoxycarbonylamino)ethyl]-methyl-ammonium iodide Formula: C33H59IN2O4 MolecularWeight: 674.73703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)CCNC(=O)OCCOC(=O)C(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)CCNC(=O)OCCOC(=O)C(C)C.[I-]

InChI

InChI=1S/C33H58N2O4.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31(28-30-21-18-17-19-22-30)35(4)25-24-34-33(37)39-27-26-38-32(36)29(2)3;/h17-19,21-22,29,31H,5-16,20,23-28H2,1-4H3,(H,34,37);1H