3-(phenylmethyl)-5-piperidin-1-ium-4-yl-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-(phenylmethyl)-5-piperidin-1-ium-4-yl-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-piperidin-1-ium-4-yl-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(phenylmethyl)-5-(4-piperidin-1-iumyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-piperidin-1-ium-4-yl-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-piperidin-1-ium-4-yl-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C16H19N6O+ MolecularWeight: 311.36166

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH2+]CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4

InChI

InChI=1S/C16H18N6O/c23-16-13-15(18-14(19-16)12-6-8-17-9-7-12)22(21-20-13)10-11-4-2-1-3-5-11/h1-5,12,17,21H,6-10H2/p+1