3-(2-morpholin-4-ium-4-ylethylamino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethylamino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one CAS Name: 3-[2-(4-morpholin-4-iumyl)ethylamino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-(2-morpholin-4-ium-4-ylethylamino)-2H-1,2,4-triazin-5-one Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=NC(=O)C(=NN2)CC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCNC2=NC(=O)C(=NN2)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N5O2/c22-15-14(12-13-4-2-1-3-5-13)19-20-16(18-15)17-6-7-21-8-10-23-11-9-21/h1-5H,6-12H2,(H2,17,18,20,22)/p+1