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

Systemtic Name: methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenylpentadecan-2-yl)azanium iodide Openeye Name: 1-benzyltetradecyl-methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]ammonium iodide CAS Name: methyl-[2-[[2-(2-methyl-1-oxopropoxy)ethoxy-oxomethyl]amino]ethyl]-(1-phenylpentadecan-2-yl)ammonium iodide IUPAC Name: methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenylpentadecan-2-yl)azanium iodide Traditional Name: 1-benzyltetradecyl-[2-(2-isobutyryloxyethoxycarbonylamino)ethyl]-methyl-ammonium iodide Formula: C31H55IN2O4 MolecularWeight: 646.68387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H54N2O4.HI/c1-5-6-7-8-9-10-11-12-13-14-18-21-29(26-28-19-16-15-17-20-28)33(4)23-22-32-31(35)37-25-24-36-30(34)27(2)3;/h15-17,19-20,27,29H,5-14,18,21-26H2,1-4H3,(H,32,35);1H