5-(1-benzofuran-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-4-yl-ethyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(1-benzofuran-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-4-yl-ethyl]-1,2,4-triazin-3-amine Openeye Name: 5-(benzofuran-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(4-pyridyl)ethyl]-1,2,4-triazin-3-amine CAS Name: 5-(2-benzofuranyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-pyridin-4-ylethyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(1-benzofuran-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-4-ylethyl]-1,2,4-triazin-3-amine Traditional Name: [5-(benzofuran-2-yl)-1,2,4-triazin-3-yl]-[(2S)-2-morpholin-4-ium-4-yl-2-(4-pyridyl)ethyl]amine Formula: C22H23N6O2+ MolecularWeight: 403.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC2=NC(=CN=N2)C3=CC4=CC=CC=C4O3)C5=CC=NC=C5

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC2=NC(=CN=N2)C3=CC4=CC=CC=C4O3)C5=CC=NC=C5

InChI

InChI=1S/C22H22N6O2/c1-2-4-20-17(3-1)13-21(30-20)18-14-25-27-22(26-18)24-15-19(16-5-7-23-8-6-16)28-9-11-29-12-10-28/h1-8,13-14,19H,9-12,15H2,(H,24,26,27)/p+1/t19-/m1/s1