1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridin-4-one

Systemtic Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridin-4-one Openeye Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridin-4-one CAS Name: 1-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-pyridinone IUPAC Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridin-4-one Traditional Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-pyridone Formula: C16H19N4O5S+ MolecularWeight: 379.41086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=CC(=O)C=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C=CC(=O)C=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c21-14-5-7-17(8-6-14)13-18-9-11-19(12-10-18)26(24,25)16-4-2-1-3-15(16)20(22)23/h1-8H,9-13H2/p+1