3-[4-(5-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine

Systemtic Name: 3-[4-(5-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine Openeye Name: 3-[4-(5-chloropyridin-1-ium-2-yl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine CAS Name: 3-[4-(5-chloro-2-pyridin-1-iumyl)-1-piperazinyl]-5-(4-methoxyphenyl)-1,2,4-triazine IUPAC Name: 3-[4-(5-chloropyridin-1-ium-2-yl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine Traditional Name: 3-[4-(5-chloropyridin-1-ium-2-yl)piperazino]-5-(4-methoxyphenyl)-1,2,4-triazine Formula: C19H20ClN6O+ MolecularWeight: 383.8547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN6O/c1-27-16-5-2-14(3-6-16)17-13-22-24-19(23-17)26-10-8-25(9-11-26)18-7-4-15(20)12-21-18/h2-7,12-13H,8-11H2,1H3/p+1