2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-5-nitro-pyridin-1-ium

Systemtic Name: 2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-5-nitro-pyridin-1-ium Openeye Name: 2-[4-[2-(2-fluorophenyl)ethyl]-1-piperidyl]-5-nitro-pyridin-1-ium CAS Name: 2-[4-[2-(2-fluorophenyl)ethyl]-1-piperidinyl]-5-nitropyridin-1-ium IUPAC Name: 2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-5-nitropyridin-1-ium Traditional Name: 2-[4-[2-(2-fluorophenyl)ethyl]piperidino]-5-nitro-pyridin-1-ium Formula: C18H21FN3O2+ MolecularWeight: 330.376643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2F)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2F)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O2/c19-17-4-2-1-3-15(17)6-5-14-9-11-21(12-10-14)18-8-7-16(13-20-18)22(23)24/h1-4,7-8,13-14H,5-6,9-12H2/p+1