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

Systemtic Name: 1-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-1-ium iodide Openeye Name: 1-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-1-ium iodide CAS Name: 1-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-1-ium iodide IUPAC Name: 1-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-1-ium iodide Traditional Name: 1-methyl-1-(2-nitrobenzyl)pyrrolidin-1-ium iodide Formula: C12H17IN2O2 MolecularWeight: 348.18005

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2=CC=CC=C2[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1(CCCC1)CC2=CC=CC=C2[N+](=O)[O-].[I-]

InChI

InChI=1S/C12H17N2O2.HI/c1-14(8-4-5-9-14)10-11-6-2-3-7-12(11)13(15)16;/h2-3,6-7H,4-5,8-10H2,1H3;1H/q+1;/p-1