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

Systemtic Name: methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenylundecan-2-yl)azanium iodide Openeye Name: 1-benzyldecyl-methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]ammonium iodide CAS Name: methyl-[2-[[2-(2-methyl-1-oxopropoxy)ethoxy-oxomethyl]amino]ethyl]-(1-phenylundecan-2-yl)ammonium iodide IUPAC Name: methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenylundecan-2-yl)azanium iodide Traditional Name: 1-benzyldecyl-[2-(2-isobutyryloxyethoxycarbonylamino)ethyl]-methyl-ammonium iodide Formula: C27H47IN2O4 MolecularWeight: 590.57755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N2O4.HI/c1-5-6-7-8-9-10-14-17-25(22-24-15-12-11-13-16-24)29(4)19-18-28-27(31)33-21-20-32-26(30)23(2)3;/h11-13,15-16,23,25H,5-10,14,17-22H2,1-4H3,(H,28,31);1H