3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide Openeye Name: 3-nitro-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide CAS Name: 3-nitro-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]benzenesulfonamide IUPAC Name: 3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide Traditional Name: 3-nitro-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide Formula: C16H20N5O4S+ MolecularWeight: 378.4261

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c17-26(24,25)14-1-2-15(16(11-14)21(22)23)20-9-7-19(8-10-20)12-13-3-5-18-6-4-13/h1-6,11H,7-10,12H2,(H2,17,24,25)/p+1