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

Systemtic Name: N2-(4-phenoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(4-phenoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-phenoxyphenyl)-6-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-phenoxyphenyl)-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]-(4-phenoxyphenyl)amine Formula: C25H28N8O+2 MolecularWeight: 456.54282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)N)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)N)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H26N8O/c26-24-29-22(18-32-14-16-33(17-15-32)23-8-4-5-13-27-23)30-25(31-24)28-19-9-11-21(12-10-19)34-20-6-2-1-3-7-20/h1-13H,14-18H2,(H3,26,28,29,30,31)/p+2