6-[(1S)-1-(azepan-1-ium-1-yl)ethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCCCCC3

Isomeric SMILES

C[C@@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCCCCC3

InChI

InChI=1S/C17H24N6/c1-13(23-11-7-2-3-8-12-23)15-20-16(18)22-17(21-15)19-14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H3,18,19,20,21,22)/p+1/t13-/m0/s1