6-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C17H24N6/c1-12-8-13(2)10-23(9-12)11-15-20-16(18)22-17(21-15)19-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H3,18,19,20,21,22)/p+1/t12-,13+