2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-ium-1-yl]acetamide Formula: C19H27N6O2+ MolecularWeight: 371.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C2=NC(=CN=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C2=NC(=CN=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H26N6O2/c1-14(2)21-18(26)13-24-8-10-25(11-9-24)19-22-17(12-20-23-19)15-4-6-16(27-3)7-5-15/h4-7,12,14H,8-11,13H2,1-3H3,(H,21,26)/p+1