5-(3-fluoranyl-4-methoxy-phenyl)-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-1,2,4-triazine

Systemtic Name: 5-(3-fluoranyl-4-methoxy-phenyl)-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-1,2,4-triazine Openeye Name: 5-(3-fluoro-4-methoxy-phenyl)-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-1,2,4-triazine CAS Name: 5-(3-fluoro-4-methoxyphenyl)-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1,2,4-triazine IUPAC Name: 5-(3-fluoro-4-methoxyphenyl)-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)-1,2,4-triazine Traditional Name: 5-(3-fluoro-4-methoxy-phenyl)-3-(4-pyridin-1-ium-4-ylpiperazino)-1,2,4-triazine Formula: C19H20FN6O+ MolecularWeight: 367.400103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=NC(=N2)N3CCN(CC3)C4=CC=[NH+]C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=NC(=N2)N3CCN(CC3)C4=CC=[NH+]C=C4)F

InChI

InChI=1S/C19H19FN6O/c1-27-18-3-2-14(12-16(18)20)17-13-22-24-19(23-17)26-10-8-25(9-11-26)15-4-6-21-7-5-15/h2-7,12-13H,8-11H2,1H3/p+1