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

Systemtic Name: methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenylheptan-2-yl)azanium iodide Openeye Name: 1-benzylhexyl-methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]ammonium iodide CAS Name: methyl-[2-[[2-(2-methyl-1-oxopropoxy)ethoxy-oxomethyl]amino]ethyl]-(1-phenylheptan-2-yl)ammonium iodide IUPAC Name: methyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]-(1-phenylheptan-2-yl)azanium iodide Traditional Name: 1-benzylhexyl-[2-(2-isobutyryloxyethoxycarbonylamino)ethyl]-methyl-ammonium iodide Formula: C23H39IN2O4 MolecularWeight: 534.47123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O4.HI/c1-5-6-8-13-21(18-20-11-9-7-10-12-20)25(4)15-14-24-23(27)29-17-16-28-22(26)19(2)3;/h7,9-12,19,21H,5-6,8,13-18H2,1-4H3,(H,24,27);1H