1-(4-methylsulfonyl-2-nitro-phenyl)-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C16H19N4O4S+ MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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