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

Systemtic Name: N2-(2-ethoxyphenyl)-6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-ethoxyphenyl)-6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-ethoxyphenyl)-6-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-ethoxyphenyl)-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-phenetyl-amine Formula: C18H27N6O+ MolecularWeight: 343.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCCCC3C

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCCC[C@@H]3C

InChI

InChI=1S/C18H26N6O/c1-3-25-15-10-5-4-9-14(15)20-18-22-16(21-17(19)23-18)12-24-11-7-6-8-13(24)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H3,19,20,21,22,23)/p+1/t13-/m0/s1