3-[[2-(2-methylpropanoyloxy)-3-oxidanyl-propoxy]carbonylamino]propyl-(1-phenylundecan-2-yl)azanium iodide

Systemtic Name: 3-[[2-(2-methylpropanoyloxy)-3-oxidanyl-propoxy]carbonylamino]propyl-(1-phenylundecan-2-yl)azanium iodide Openeye Name: 1-benzyldecyl-[3-[[3-hydroxy-2-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl]ammonium iodide CAS Name: 3-[[[3-hydroxy-2-(2-methyl-1-oxopropoxy)propoxy]-oxomethyl]amino]propyl-(1-phenylundecan-2-yl)ammonium iodide IUPAC Name: 3-[[3-hydroxy-2-(2-methylpropanoyloxy)propoxy]carbonylamino]propyl-(1-phenylundecan-2-yl)azanium iodide Traditional Name: 1-benzyldecyl-[3-[(3-hydroxy-2-isobutyryloxy-propoxy)carbonylamino]propyl]ammonium iodide Formula: C28H49IN2O5 MolecularWeight: 620.60353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC1=CC=CC=C1)[NH2+]CCCNC(=O)OCC(CO)OC(=O)C(C)C.[I-]

Isomeric SMILES

CCCCCCCCCC(CC1=CC=CC=C1)[NH2+]CCCNC(=O)OCC(CO)OC(=O)C(C)C.[I-]

InChI

InChI=1S/C28H48N2O5.HI/c1-4-5-6-7-8-9-13-17-25(20-24-15-11-10-12-16-24)29-18-14-19-30-28(33)34-22-26(21-31)35-27(32)23(2)3;/h10-12,15-16,23,25-26,29,31H,4-9,13-14,17-22H2,1-3H3,(H,30,33);1H