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

Systemtic Name: 1-methyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidin-1-ium iodide Openeye Name: 1-methyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidin-1-ium iodide CAS Name: 1-methyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidin-1-ium iodide IUPAC Name: 1-methyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidin-1-ium iodide Traditional Name: 1-methyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidin-1-ium iodide Formula: C13H19IN2O2 MolecularWeight: 362.20663

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCC2=CC=C(C=C2)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1(CCCC1)CCC2=CC=C(C=C2)[N+](=O)[O-].[I-]

InChI

InChI=1S/C13H19N2O2.HI/c1-15(9-2-3-10-15)11-8-12-4-6-13(7-5-12)14(16)17;/h4-7H,2-3,8-11H2,1H3;1H/q+1;/p-1