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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-nitro-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-4-(5-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)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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