5-(2,4-dimethoxyphenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-1,2,4-triazine

Systemtic Name: 5-(2,4-dimethoxyphenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Openeye Name: 5-(2,4-dimethoxyphenyl)-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-1,2,4-triazine CAS Name: 5-(2,4-dimethoxyphenyl)-3-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]-1,2,4-triazine IUPAC Name: 5-(2,4-dimethoxyphenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Traditional Name: 5-(2,4-dimethoxyphenyl)-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Formula: C21H25N6O2+ MolecularWeight: 393.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CN=NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=N4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CN=NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=N4)OC

InChI

InChI=1S/C21H24N6O2/c1-28-17-6-7-18(20(13-17)29-2)19-14-23-25-21(24-19)27-11-9-26(10-12-27)15-16-5-3-4-8-22-16/h3-8,13-14H,9-12,15H2,1-2H3/p+1