1-[(5-fluoranyl-2-methoxy-phenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[(5-fluoranyl-2-methoxy-phenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(5-fluoro-2-methoxy-phenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(3-nitro-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-(5-fluoro-2-methoxy-benzyl)-4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium Formula: C17H21FN4O3+2 MolecularWeight: 348.372043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H19FN4O3/c1-25-16-5-4-14(18)11-13(16)12-20-7-9-21(10-8-20)17-15(22(23)24)3-2-6-19-17/h2-6,11H,7-10,12H2,1H3/p+2