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

Systemtic Name: 1-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-1-ium iodide Openeye Name: 1-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-1-ium iodide CAS Name: 1-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-1-ium iodide IUPAC Name: 1-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-1-ium iodide Traditional Name: 1-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-1-ium iodide Formula: C14H21IN2O2 MolecularWeight: 376.23321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N2O2.HI/c1-16(10-3-2-4-11-16)12-9-13-5-7-14(8-6-13)15(17)18;/h5-8H,2-4,9-12H2,1H3;1H/q+1;/p-1