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

Systemtic Name: N2-(4-fluorophenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(4-fluorophenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-fluorophenyl)-6-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-fluorophenyl)-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-fluorophenyl)amine Formula: C19H23FN8+2 MolecularWeight: 382.437923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21FN8/c20-14-4-6-15(7-5-14)23-19-25-16(24-18(21)26-19)13-27-9-11-28(12-10-27)17-3-1-2-8-22-17/h1-8H,9-13H2,(H3,21,23,24,25,26)/p+2