6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C17H27N7+2 MolecularWeight: 329.44318

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

InChI

InChI=1S/C17H25N7/c1-3-23-8-10-24(11-9-23)12-15-20-16(18)22-17(21-15)19-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3,(H3,18,19,20,21,22)/p+2