N-(3-fluorophenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C17H20FN5O3+2 MolecularWeight: 361.370803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H18FN5O3/c18-13-3-1-4-14(11-13)20-16(24)12-21-7-9-22(10-8-21)17-15(23(25)26)5-2-6-19-17/h1-6,11H,7-10,12H2,(H,20,24)/p+2