1-(4-methylphenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine Openeye Name: 1-(5-nitropyridin-1-ium-2-yl)-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-(5-nitro-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine Traditional Name: 1-(5-nitropyridin-1-ium-2-yl)-4-tosyl-piperazine Formula: C16H19N4O4S+ MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-13-2-5-15(6-3-13)25(23,24)19-10-8-18(9-11-19)16-7-4-14(12-17-16)20(21)22/h2-7,12H,8-11H2,1H3/p+1