1-[4-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(3-nitropyridin-1-ium-2-yl)piperazino]sulfonylphenyl]ethanone Formula: C17H19N4O5S+ MolecularWeight: 391.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5S/c1-13(22)14-4-6-15(7-5-14)27(25,26)20-11-9-19(10-12-20)17-16(21(23)24)3-2-8-18-17/h2-8H,9-12H2,1H3/p+1