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

Systemtic Name: 6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(4-ethyl-1-piperazin-4-iumyl)methyl]-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-s-triazin-2-yl]-(4-fluorophenyl)amine Formula: C16H23FN7+ MolecularWeight: 332.399123

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C16H22FN7/c1-2-23-7-9-24(10-8-23)11-14-20-15(18)22-16(21-14)19-13-5-3-12(17)4-6-13/h3-6H,2,7-11H2,1H3,(H3,18,19,20,21,22)/p+1