N2-[(4-methoxyphenyl)methyl]-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-[(4-methoxyphenyl)methyl]-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: N2-[(4-methoxyphenyl)methyl]-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-[(4-methoxyphenyl)methyl]-6-(1-piperidin-1-iumylmethyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-[(4-methoxyphenyl)methyl]-6-(piperidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(piperidin-1-ium-1-ylmethyl)-s-triazin-2-yl]-p-anisyl-amine Formula: C17H25N6O+ MolecularWeight: 329.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)C[NH+]3CCCCC3

InChI

InChI=1S/C17H24N6O/c1-24-14-7-5-13(6-8-14)11-19-17-21-15(20-16(18)22-17)12-23-9-3-2-4-10-23/h5-8H,2-4,9-12H2,1H3,(H3,18,19,20,21,22)/p+1