1-[2-(4-nitrophenyl)ethyl]-1-propan-2-yl-piperidin-1-ium iodide

Systemtic Name: 1-[2-(4-nitrophenyl)ethyl]-1-propan-2-yl-piperidin-1-ium iodide Openeye Name: 1-isopropyl-1-[2-(4-nitrophenyl)ethyl]piperidin-1-ium iodide CAS Name: 1-[2-(4-nitrophenyl)ethyl]-1-propan-2-ylpiperidin-1-ium iodide IUPAC Name: 1-[2-(4-nitrophenyl)ethyl]-1-propan-2-ylpiperidin-1-ium iodide Traditional Name: 1-isopropyl-1-[2-(4-nitrophenyl)ethyl]piperidin-1-ium iodide Formula: C16H25IN2O2 MolecularWeight: 404.28637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CCCCC1)CCC2=CC=C(C=C2)[N+](=O)[O-].[I-]

Isomeric SMILES

CC(C)[N+]1(CCCCC1)CCC2=CC=C(C=C2)[N+](=O)[O-].[I-]

InChI

InChI=1S/C16H25N2O2.HI/c1-14(2)18(11-4-3-5-12-18)13-10-15-6-8-16(9-7-15)17(19)20;/h6-9,14H,3-5,10-13H2,1-2H3;1H/q+1;/p-1