N2-(2-methylphenyl)-6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2-methylphenyl)-6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methylphenyl)-6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C17H25N6+ MolecularWeight: 313.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

InChI

InChI=1S/C17H24N6/c1-12-7-3-4-9-14(12)19-17-21-15(20-16(18)22-17)11-23-10-6-5-8-13(23)2/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3,(H3,18,19,20,21,22)/p+1/t13-/m0/s1