6-[(2-nitrophenyl)methyl]-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(2-nitrophenyl)methyl]-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Openeye Name: 6-[(2-nitrophenyl)methyl]-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one CAS Name: 6-[(2-nitrophenyl)methyl]-3-(1-piperazin-4-iumyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(2-nitrophenyl)methyl]-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Traditional Name: 6-(2-nitrobenzyl)-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Formula: C14H17N6O3+ MolecularWeight: 317.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=O)C(=NN2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=O)C(=NN2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O3/c21-13-11(9-10-3-1-2-4-12(10)20(22)23)17-18-14(16-13)19-7-5-15-6-8-19/h1-4,15H,5-9H2,(H,16,18,21)/p+1