6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-amine

Systemtic Name: 6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Openeye Name: 6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-amine CAS Name: 6-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumamine IUPAC Name: 6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Traditional Name: [6-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]amine Formula: C16H21FN4+2 MolecularWeight: 288.363143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=[NH+]C=C(C=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=[NH+]C=C(C=C3)N

InChI

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