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

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropylamino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propylamino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-(3-morpholin-4-ium-4-ylpropylamino)-2H-1,2,4-triazin-5-one Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC(=O)C(=NN2)CC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC(=O)C(=NN2)CC3=CC=CC=C3

InChI

InChI=1S/C17H23N5O2/c23-16-15(13-14-5-2-1-3-6-14)20-21-17(19-16)18-7-4-8-22-9-11-24-12-10-22/h1-3,5-6H,4,7-13H2,(H2,18,19,21,23)/p+1