dimethyl-[3-[2-[3-(phenylcarbonyl)phenyl]propanoylamino]propyl]-propan-2-yl-azanium iodide

Systemtic Name: dimethyl-[3-[2-[3-(phenylcarbonyl)phenyl]propanoylamino]propyl]-propan-2-yl-azanium iodide Openeye Name: 3-[2-(3-benzoylphenyl)propanoylamino]propyl-isopropyl-dimethyl-ammonium iodide CAS Name: 3-[[2-(3-benzoylphenyl)-1-oxopropyl]amino]propyl-dimethyl-propan-2-ylammonium iodide IUPAC Name: 3-[2-(3-benzoylphenyl)propanoylamino]propyl-dimethyl-propan-2-ylazanium iodide Traditional Name: 3-[2-(3-benzoylphenyl)propanoylamino]propyl-isopropyl-dimethyl-ammonium iodide Formula: C24H33IN2O2 MolecularWeight: 508.43549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(C)CCCNC(=O)C(C)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

CC(C)[N+](C)(C)CCCNC(=O)C(C)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C24H32N2O2.HI/c1-18(2)26(4,5)16-10-15-25-24(28)19(3)21-13-9-14-22(17-21)23(27)20-11-7-6-8-12-20;/h6-9,11-14,17-19H,10,15-16H2,1-5H3;1H