1-(2-fluorophenyl)-4-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[1-(4-nitrobenzyl)piperidin-1-ium-4-yl]piperazin-4-ium Formula: C22H29FN4O2+2 MolecularWeight: 400.489663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3F)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3F)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27FN4O2/c23-21-3-1-2-4-22(21)26-15-13-25(14-16-26)19-9-11-24(12-10-19)17-18-5-7-20(8-6-18)27(28)29/h1-8,19H,9-17H2/p+2