1-(3-nitropyridin-1-ium-2-yl)-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine CAS Name: 1-(benzenesulfonyl)-4-(3-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(benzenesulfonyl)-4-(3-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-besyl-4-(3-nitropyridin-1-ium-2-yl)piperazine Formula: C15H17N4O4S+ MolecularWeight: 349.38488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H16N4O4S/c20-19(21)14-7-4-8-16-15(14)17-9-11-18(12-10-17)24(22,23)13-5-2-1-3-6-13/h1-8H,9-12H2/p+1