6-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazino)-6-veratryl-2H-1,2,4-triazin-5-one Formula: C21H25N6O3+ MolecularWeight: 409.4616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C21H24N6O3/c1-29-17-7-6-15(14-18(17)30-2)13-16-20(28)23-21(25-24-16)27-11-9-26(10-12-27)19-5-3-4-8-22-19/h3-8,14H,9-13H2,1-2H3,(H,23,25,28)/p+1