4-fluoranyl-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline

Systemtic Name: 4-fluoranyl-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline Openeye Name: 4-fluoro-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline CAS Name: 4-fluoro-2-nitro-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]aniline IUPAC Name: 4-fluoro-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline Traditional Name: (4-fluoro-2-nitro-phenyl)-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C18H21FN3O2+ MolecularWeight: 330.376643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O2/c19-16-7-8-17(18(11-16)22(23)24)20-12-14-3-5-15(6-4-14)13-21-9-1-2-10-21/h3-8,11,20H,1-2,9-10,12-13H2/p+1