[3-fluoranyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]methylazanium

Systemtic Name: [3-fluoranyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]methylazanium Openeye Name: [3-fluoro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]methylammonium CAS Name: [3-fluoro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]phenyl]methylammonium IUPAC Name: [3-fluoro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]methylazanium Traditional Name: [3-fluoro-4-(4-pyridin-1-ium-2-ylpiperazino)benzyl]ammonium Formula: C16H21FN4+2 MolecularWeight: 288.363143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C[NH3+])F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C[NH3+])F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H19FN4/c17-14-11-13(12-18)4-5-15(14)20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12,18H2/p+2