[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-(5-amino-2-pyridin-1-iumyl)-1-piperazinyl]-(3-fluorophenyl)methanone IUPAC Name: [4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone Traditional Name: [4-(5-aminopyridin-1-ium-2-yl)piperazino]-(3-fluorophenyl)methanone Formula: C16H18FN4O+ MolecularWeight: 301.338723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)N)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)N)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C16H17FN4O/c17-13-3-1-2-12(10-13)16(22)21-8-6-20(7-9-21)15-5-4-14(18)11-19-15/h1-5,10-11H,6-9,18H2/p+1