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

Systemtic Name: 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Openeye Name: 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one CAS Name: 6-[(4-ethoxyphenyl)methyl]-3-[2-(4-morpholin-4-iumyl)ethylamino]-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(4-ethoxyphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-ethoxybenzyl)-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Formula: C18H26N5O3+ MolecularWeight: 360.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NNC(=NC2=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H25N5O3/c1-2-26-15-5-3-14(4-6-15)13-16-17(24)20-18(22-21-16)19-7-8-23-9-11-25-12-10-23/h3-6H,2,7-13H2,1H3,(H2,19,20,22,24)/p+1