N2-(2,5-dimethoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2,5-dimethoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2,5-dimethoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2,5-dimethoxyphenyl)-6-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2,5-dimethoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-s-triazin-2-yl]-(2,5-dimethoxyphenyl)amine Formula: C21H28N8O2+2 MolecularWeight: 424.49942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N8O2/c1-30-15-6-7-17(31-2)16(13-15)24-21-26-18(25-20(22)27-21)14-28-9-11-29(12-10-28)19-5-3-4-8-23-19/h3-8,13H,9-12,14H2,1-2H3,(H3,22,24,25,26,27)/p+2