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

Systemtic Name: 5-(2,4-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-yl-ethyl]-1,2,4-triazin-3-amine Openeye Name: 5-(2,4-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]-1,2,4-triazin-3-amine CAS Name: 5-(2,4-dimethoxyphenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-(2-pyridinyl)ethyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(2,4-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-ylethyl]-1,2,4-triazin-3-amine Traditional Name: [5-(2,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]-[(2S)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]amine Formula: C22H27N6O3+ MolecularWeight: 423.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CN=NC(=N2)NCC(C3=CC=CC=N3)[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CN=NC(=N2)NC[C@@H](C3=CC=CC=N3)[NH+]4CCOCC4)OC

InChI

InChI=1S/C22H26N6O3/c1-29-16-6-7-17(21(13-16)30-2)19-14-25-27-22(26-19)24-15-20(18-5-3-4-8-23-18)28-9-11-31-12-10-28/h3-8,13-14,20H,9-12,15H2,1-2H3,(H,24,26,27)/p+1/t20-/m0/s1