hexyl-(3-methylbutyl)-[3-(4-nitrophenyl)propyl]azanium iodide

Systemtic Name: hexyl-(3-methylbutyl)-[3-(4-nitrophenyl)propyl]azanium iodide Openeye Name: hexyl-isopentyl-[3-(4-nitrophenyl)propyl]ammonium iodide CAS Name: hexyl-(3-methylbutyl)-[3-(4-nitrophenyl)propyl]ammonium iodide IUPAC Name: hexyl-(3-methylbutyl)-[3-(4-nitrophenyl)propyl]azanium iodide Traditional Name: hexyl-isoamyl-[3-(4-nitrophenyl)propyl]ammonium iodide Formula: C20H35IN2O2 MolecularWeight: 462.40857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH+](CCCC1=CC=C(C=C1)[N+](=O)[O-])CCC(C)C.[I-]

Isomeric SMILES

CCCCCC[NH+](CCCC1=CC=C(C=C1)[N+](=O)[O-])CCC(C)C.[I-]

InChI

InChI=1S/C20H34N2O2.HI/c1-4-5-6-7-15-21(17-14-18(2)3)16-8-9-19-10-12-20(13-11-19)22(23)24;/h10-13,18H,4-9,14-17H2,1-3H3;1H