triethyl-[3-[[4-(2-methylpropyl)phenyl]-propanoyl-amino]propyl]azanium iodide

Systemtic Name: triethyl-[3-[[4-(2-methylpropyl)phenyl]-propanoyl-amino]propyl]azanium iodide Openeye Name: triethyl-[3-(4-isobutyl-N-propanoyl-anilino)propyl]ammonium iodide CAS Name: triethyl-[3-[4-(2-methylpropyl)-N-(1-oxopropyl)anilino]propyl]ammonium iodide IUPAC Name: triethyl-[3-[4-(2-methylpropyl)-N-propanoylanilino]propyl]azanium iodide Traditional Name: triethyl-[3-(4-isobutyl-N-propionyl-anilino)propyl]ammonium iodide Formula: C22H39IN2O MolecularWeight: 474.46233

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCC[N+](CC)(CC)CC)C1=CC=C(C=C1)CC(C)C.[I-]

Isomeric SMILES

CCC(=O)N(CCC[N+](CC)(CC)CC)C1=CC=C(C=C1)CC(C)C.[I-]

InChI

InChI=1S/C22H39N2O.HI/c1-7-22(25)23(16-11-17-24(8-2,9-3)10-4)21-14-12-20(13-15-21)18-19(5)6;/h12-15,19H,7-11,16-18H2,1-6H3;1H/q+1;/p-1