6-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Openeye Name: 3-(2-morpholin-4-ium-4-ylethylamino)-6-(p-tolylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 6-[(4-methylphenyl)methyl]-3-[2-(4-morpholin-4-iumyl)ethylamino]-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-methylbenzyl)-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Formula: C17H24N5O2+ MolecularWeight: 330.40476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NNC(=NC2=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NNC(=NC2=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H23N5O2/c1-13-2-4-14(5-3-13)12-15-16(23)19-17(21-20-15)18-6-7-22-8-10-24-11-9-22/h2-5H,6-12H2,1H3,(H2,18,19,21,23)/p+1