6-(azepan-1-ium-1-ylmethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCCCCC3

InChI

InChI=1S/C17H24N6/c1-13-8-4-5-9-14(13)19-17-21-15(20-16(18)22-17)12-23-10-6-2-3-7-11-23/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H3,18,19,20,21,22)/p+1