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

Systemtic Name: 1-ethyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidin-1-ium bromide Openeye Name: 1-ethyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidin-1-ium bromide CAS Name: 1-ethyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidin-1-ium bromide IUPAC Name: 1-ethyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidin-1-ium bromide Traditional Name: 1-ethyl-1-[2-(4-nitrophenyl)ethyl]pyrrolidin-1-ium bromide Formula: C14H21BrN2O2 MolecularWeight: 329.23274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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