4-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]butan-2-one

Systemtic Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]butan-2-one Openeye Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]butan-2-one CAS Name: 4-[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-2-butanone IUPAC Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]butan-2-one Traditional Name: 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]butan-2-one Formula: C14H20N3O5S+ MolecularWeight: 342.3907

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-12(18)5-6-15-7-9-16(10-8-15)23(21,22)14-4-2-3-13(11-14)17(19)20/h2-4,11H,5-10H2,1H3/p+1